| Phytochemical Name : Gossypol |
| PCNDIDG0140 |
| Pubchem CID : 3503 |
| Molecular formula: C30H30O8 |
| Canonical SMILES : CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O |
Synonymes : gossypol|303-45-7|90141-22-3|(-)-Gossypol|Pogosin|(+)-Gossypol|Tash 1|(R)-Gossypol|(R)-(-)-Gossypol|No Fertil|(+/-)-Gossypol|racemic-Gossypol|20300-26-9|7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde|AT 101|(+-)-Gossypol|BL 193|AT101|1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde|NSC 56817|CCRIS 2689|Gissypol, (R)-|Gossypol, (R)-|Gossypol, (S)-|C30H30O8|NSC56817|UNII-XNA7DR63CQ|NSC-56817|XNA7DR63CQ|UNII-8DY2X8LXW4|NSC 624336|NSC-624336|BRN 1917878|gosipol|8DY2X8LXW4|UNII-KAV15B369O|gossypol sodium|CHEMBL51483|AI3-22957|KAV15B369O|DTXSID5023110|303-45-7 (free)|gossypol potassium|HSDB 7872|2,2'-bi[8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene]|gossypol dipotassium|2,2'-Bis(1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthalene)|BL-193|NSC624336|NSC-726190|(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-, (+)-|7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde|NCGC00016423-03|CAS-303-45-7|8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene|(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-|(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (-)-|[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-|[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde,1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (2R)-|4-08-00-03754 (Beilstein Handbook Reference)|DTXCID803110|(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahyd|C30-H30-O8|(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-|(2,2-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (+-)-|7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde|Gossypol Sodium Salt|NSC-19048|Sodium Salt, Gossypol|(S)-(+)-Gossypol|Gossypol, (+)-Isomer|Gossypol, (-)-Isomer|SR-01000597521|Gossypol Dipotassium Salt|Gossypol, (+-)-Isomer|Dipotassium Salt, Gossypol|ssypol|Thespesin|Gossypol, 4|(S)-Gossypol|( )-Gossypol|MFCD00017352|Prestwick_1031|R-(-)-gossypol|Pogosin; AT101|Spectrum_000359|Spectrum_001521|Tocris-1964|ST065835|SpecPlus_000602|GOSSYPOL [MI]|GOSSYPOL [VANDF]|GOSSYPOL, R-|1189561-66-7|Prestwick0_000677|Prestwick1_000677|Prestwick2_000677|Prestwick3_000677|Spectrum2_001472|Spectrum2_001624|Spectrum3_001102|Spectrum3_001516|Spectrum4_000846|Spectrum4_001931|Spectrum5_000693|Spectrum5_001035|GOSSYPOL [MART.]|Gossypol from cotton seeds|D0Z0HH|UPCMLD-DP103|NCIMech_000271|cid_3503|SCHEMBL3939|BSPBio_000773|BSPBio_002804|BSPBio_003191|GOSSYPOL, (+)-|KBioGR_001451|KBioGR_002303|KBioSS_000839|KBioSS_002001|MLS000028490|DivK1c_000173|DivK1c_006698|GOSSYPOL R-FORM [MI]|GOSSYPOL S-FORM [MI]|SPECTRUM1504019|SPBio_001423|SPBio_001687|SPBio_002694|BPBio1_000851|cid_227456|GTPL4204|UPCMLD-DP103:001|UPCMLD-DP103:002|BDBM23223|BDBM46555|KBio1_000173|KBio1_001642|KBio2_000839|KBio2_002001|KBio2_003407|KBio2_004569|KBio2_005975|KBio2_007137|KBio3_002024|KBio3_002691|EX-A068|NINDS_000173|HMS1570G15|HMS2097G15|HMS3262J15|HMS3268O22|HMS3413L10|HMS3651C18|HMS3677L10|HMS3868F13|(+/-)-Gossypol from cotton seeds|BCP03607|Tox21_110434|Tox21_500847|CCG-35400|HB0304|NSC726190|NSC728875|s6852|STK063457|AKOS002140475|Tox21_110434_1|AT25344|BCP9000332|CS-0966|DB13044|LMPR0103330002|LP00847|NSC 726190|NSC-728875|SB17342|SDCCGSBI-0051726.P004|IDI1_000173|SMP2_000170|NCGC00016423-01|NCGC00016423-02|NCGC00016423-04|NCGC00016423-05|NCGC00016423-06|NCGC00016423-07|NCGC00016423-08|NCGC00016423-09|NCGC00016423-10|NCGC00016423-12|NCGC00016423-14|NCGC00016423-15|NCGC00016423-17|NCGC00016423-34|NCGC00025331-01|NCGC00025331-02|NCGC00025331-03|NCGC00025331-04|NCGC00025331-06|NCGC00025331-07|NCGC00261532-01|7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl)]-2,3,8-trihy droxy-6-methyl-4-(methylethyl)naphthalenecarbaldehyde|AC-20251|AC-30274|AC-34521|AS-55885|BP-25397|HY-13407|HY-15464|LS-43993|LS-43994|LS-43996|LS-43997|NCI60_001588|NCI60_004391|SMR000058386|BCP0726000183|AB00052921|FT-0631917|SW197103-2|A15004|C07667|A820340|Q411882|J-017920|SR-01000597521-1|SR-01000597521-5|SR-01000597521-6|(+/-)-Gossypol from cotton seeds, >=95% (HPLC)|BRD-K19295594-001-06-9|BRD-K19295594-001-10-1|BRD-K19295594-015-02-8|( inverted exclamation markA)-GOSSYPOL FROM COTTON SEEDS|8-Formyl-1,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene|(-)-2,2'-Bis(1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthalene)|(2,8'-dicarboxaldehyde, 1,1',6,6'7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-|(R)-2,2'-BIS(8-FORMYL-1,6,7-TRIHYDROXY-5-ISOPROPYL-3-METHYLNAPHTHALENE)|[2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-|(+)1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde|(-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde|(-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde|(2,2'-BINAPHTHALENE)-8,8'-DICARBOXALDEHYDE, 1,1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-5,5'-BIS(1-METHYLETHYL)-, (2S)-|(2,2'-BINAPHTHALENE)-8,8'-DICARBOXALDEHYDE, 1,1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-5,5'-BIS(1-METHYLETHYL)-, (S)-|[2,8'-dicarboxaldehyde, 1,1',6,6',7,7'- hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (2R)-|[2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1- methylethyl)-|[2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-|1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde|1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-2,2'-binaphthalene-8,8'-dicarbaldehyde|1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde|1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-2,2'-binaphthalene-8,8'-dicarbaldehyde|1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde|1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthyl-8,8'-dicarbaldehyde|1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl[2,2'-binaphthalene]-8,8'-dicarbaldehyde|1,1',6,6'-Tetrahydroxy-3,3'-dimethyl-5,5'-diisopropyl-8,8'-bis(hydroxymethylene)-2,2'-binaphthalene-7,7'(8H,8'H)-dione|40112-23-0|7-(8-Formyl-1,6,7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl))-2,3,8-trihydroxy-6-methyl-4-(methylethyl)naphthalenecarbaldehyde|acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-1-naphthalenecarboxaldehyde|acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde|ethanoic acid;7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde |
| Structure | |
| 3D structure | 2D structure |
![]() |
| Log Po/w (iLOGP) : 3.360 |
| Log Po/w (XLOGP3) : 6.930 |
| Log Po/w (WLOGP) : 6.380 |
| Log Po/w (MLOGP) : 2.050 |
| Log Po/w (SILICOS-IT) : 6.500 |
| Consensus Log Po/w : 5.040 |

