| Phytochemical Name : Khellin |
| PCNDIDK0027 |
| Pubchem CID : 3828 |
| Molecular formula: C14H12O5 |
| Canonical SMILES : CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC |
Synonymes : khellin|82-02-0|Visammin|Methafrone|Amicardine|Viscardan|Coronin|Ammivisnagen|Amikellin|Ammipuran|Benecardin|Corafurone|Gynokhellan|Kelourin|Khelloyd|Medekellin|Rykellin|Ammivin|Ammispasmin|Interkellin|Interkhellin|Kelicorin|Khelangin|Khellamine|Khellanals|Khellinorm|Visammimix|Visnagalin|Kalangin|Kelamin|Kelincor|Norkel|Simeskellina|Kellosal|Khelfren|Khelisem|Lynamine|Mefurina|Vasokellina|Visnagen|Amiptan|Chellin|Kelicor|Kellin|Kellina|Keloid|Eskel|Cardio-khellin|Ammi-khellin|Bi-Kellina|Benekardin|Khelline I|Chellina|Khelline|Khellinum|Quelina|Ammicardine|4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one|5,8-Dimethoxy-2-methyl-6,7-furanochromone|4,9-Dimethoxy-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-one|Chellina [Italian]|4,9-Dimethoxy-7-methyl-5-oxofuro(3,2-g)-1,2-chromene|5,8-Dimethoxy-2-methyl-4',5'-furo-6,7-chromone|IT-033|Khellin [INN:DCF]|CHEBI:6133|Viscardin|Khelline [INN-French]|Khellinum [INN-Latin]|Quelina [INN-Spanish]|5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-|C14H12O5|5,8-Dimethoxy-2-methyl-4',5'-furano-6,7-chromone|EINECS 201-392-8|UNII-5G117T0TJZ|NSC 25509|NSC 37744|NSC-25509|NSC-37744|4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz-(f)indene|4,9-Dimethoxy-7-methyl-5-oxofuro(3,2-g)(1)benzopyran|BRN 0263185|5G117T0TJZ|5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-|DTXSID9045267|AI3-52114|NSC37744|4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one|amicardien|Chorafurone|Vismagen|Khell|MLS000028448|DTXCID7025267|4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one|NSC8519|5-19-06-00320 (Beilstein Handbook Reference)|5,7-furanochromone|CAS-82-02-0|NCGC00016327-01|SMR000058278|4,2-g][1]benzopyran|KHELLIN (MART.)|KHELLIN [MART.]|4,8-dioxabenz-[f]indene|4,2-g]-1,2-chromene|5,5'-furo-6,7-chromone|5,5'-furano-6,7-chromone|4,2-g][1]benzopyran-5-one|5H-Furo[3, 4,9-dimethoxy-7-methyl-|WLN: T C566 DO JV MOJ BO1 HO1 L1|SR-01000000072|4,9-dimethoxy-7-methyl-5H-furo(3,2-g)chromen-5-one|kelina|Gynokhellin|Intercellin|Hkelfren|khellin-|Prestwick_287|MFCD00005007|Khellin [DCF:INN]|Spectrum_000079|Khellin, for microscopy|Opera_ID_372|4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]-[1]benzopyran-5-one|KHELLIN [INN]|KHELLIN [MI]|Prestwick0_000091|Prestwick1_000091|Prestwick2_000091|Prestwick3_000091|Spectrum2_000593|Spectrum3_000654|Spectrum4_001557|Spectrum5_000154|KHELLIN [WHO-DD]|bmse000751|D0G4KG|SCHEMBL9655|Khellin, analytical standard|BSPBio_000042|BSPBio_002287|KBioGR_002054|KBioSS_000479|SPECTRUM210866|MLS001076533|CHEMBL44746|DivK1c_000046|5,9-dimethoxy-2-methylfurano[3,2-g]chromen-4-one|SPBio_000466|SPBio_001981|BPBio1_000048|MEGxp0_000331|ACon0_000983|ACon1_000350|HMS500C08|HSMPDPBYAYSOBC-UHFFFAOYSA-|KBio1_000046|KBio2_000479|KBio2_003047|KBio2_005615|KBio3_001507|NINDS_000046|HMS1568C04|HMS1923M07|HMS2095C04|HMS2230B16|HMS3371C21|HMS3712C04|Pharmakon1600-00210866|HY-B1394|NSC-8519|NSC25509|Tox21_110374|BDBM50480260|CCG-36453|LMPK13110001|NSC755826|s5887|STL561007|AKOS002281934|Tox21_110374_1|NSC-755826|SDCCGMLS-0003040.P003|IDI1_000046|NCGC00016327-02|NCGC00016327-03|NCGC00016327-04|NCGC00016327-05|NCGC00016327-06|NCGC00016327-07|NCGC00016327-08|NCGC00016327-09|NCGC00016327-11|NCGC00023424-03|NCGC00023424-04|NCGC00169160-01|NCGC00169160-02|NCGC00169160-03|AS-35307|LS-70711|SBI-0051567.P002|CS-0013121|FT-0627578|K0039|C09010|K-3400|AB00052134_16|4,9-Dimethoxy-7-methyl-furo[3,2-g]chromen-5-one|Q2079998|SR-01000000072-3|SR-01000000072-4|SR-01000000072-5|SR-01000000072-6|BRD-K80353807-001-05-5|BRD-K80353807-001-06-3|BRD-K80353807-001-16-2|4,9-dimethoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one|4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one # |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.630 |
| Log Po/w (XLOGP3) : 2.260 |
| Log Po/w (WLOGP) : 2.860 |
| Log Po/w (MLOGP) : 0.340 |
| Log Po/w (SILICOS-IT) : 3.370 |
| Consensus Log Po/w : 2.290 |

