| Phytochemical Name : Lapachol |
| PCNDIDL0014 |
| Pubchem CID : 3884 |
| Molecular formula: C15H14O3 |
| Canonical SMILES : CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C |
Synonymes : lapachol|84-79-7|Greenhartin|Tecomin|Bethabarra wood|Taiguic acid|Lapachol wood|Taigu wood|C.I. Natural Yellow 16|Lapachic acid|IPE-tobacco wood|Greenharten|Surinam greenheart wood|NSC-11905|C.I. 75490|Zlut prirodni 16|Tecomin (VAN)|NSC 11905|2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone|Zlut prirodni 16 [Czech]|4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione|CCRIS 745|1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-|NSC 629756|NSC11905|EINECS 201-563-7|NSC629756|BRN 2051889|2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione|1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-|CHEBI:6377|DTXSID6049430|UNII-B221938VB6|2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone|B221938VB6|NSC-629756|2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione|2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione|4-08-00-02487 (Beilstein Handbook Reference)|Groenhartin|Lapachoic acid|Lapachol, 98%|Natural Yellow-?16|1,4-Naphthalenedione,2-hydroxy-3-(3-methyl-2-buten-1-yl)-|LAPACHOL [MI]|Spectrum2_001451|Spectrum3_000768|Spectrum5_001873|bmse000989|NCIMech_000076|Oprea1_717083|BSPBio_002416|CHEMBL15193|DivK1c_000594|SCHEMBL157255|SCHEMBL157256|SPECTRUM1501204|SPBio_001341|2-hydroxy-3-(3-methyl-2-butenyl)-1,4-naphtho-quinone|DTXCID5029390|HMS501N16|KBio1_000594|KBio3_001636|NINDS_000594|HMS1921B06|HMS3869D03|AMY40588|BCP24022|HY-N6961|Tox21_202948|CCG-35464|MFCD00001679|s5684|AKOS015951424|AKOS032948320|AC-8971|CI75490|CS-W020951|SDCCGMLS-0066666.P001|CAS-84-79-7|IDI1_000594|NCGC00094931-01|NCGC00094931-02|NCGC00094931-03|NCGC00094931-04|NCGC00094931-06|NCGC00260494-01|WLN: L66 BV EVJ CQ D2UY1&1|AS-35308|CI 75490|LS-95648|NCI60_000457|NCI60_000587|1, 2-hydroxy-3-(3-methyl-2-butenyl)-|FT-0649649|A863979|Cancer Chemother Rep (part 2) 4: 11 (1974)|Q739601|SR-05000002489|2-Hydroxy-3-(3-methyl-2-butenyl)naphthoquinone #|SR-05000002489-1|2-hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinon|NSC-11905; NSC 11905; NSC11905|2-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione|3-(3-Methyl-2-butenyl)-4-hydroxy-1,2-naphthoquinone|4-hydroxy-3-(3-methylbut-2-en-1-yl)-1,2-dihydronaphthalene-1,2-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.190 |
| Log Po/w (XLOGP3) : 2.790 |
| Log Po/w (WLOGP) : 3.080 |
| Log Po/w (MLOGP) : 1.320 |
| Log Po/w (SILICOS-IT) : 3.320 |
| Consensus Log Po/w : 2.540 |