| Phytochemical Name : 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one |
| PCNDIDOT0483 |
| Pubchem CID : 135403797 |
| Molecular formula: C11H8O5 |
| Canonical SMILES : C1=CC2=CC(=C(C(=C2C(=O)C(=C1)O)O)O)O |
Synonymes : 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one|MLS000738105|SMR000393869|CHEMBL66953|CHEBI:8647|NSC35676|NSC646653|2,3,4,6-Tetrahydroxy-5H-benzo[a]cyclohepten-5-one|SR-01000759730|Hit compound, 2|Spectrum_000348|SpecPlus_000311|Spectrum2_000582|Spectrum3_000692|Spectrum4_001547|Spectrum5_000114|Oprea1_685478|SCHEMBL33853|BSPBio_002443|KBioGR_002014|KBioSS_000828|SPECTRUM210505|DivK1c_006407|SPBio_000424|BDBM50647|cid_5281571|KBio1_001351|KBio2_000828|KBio2_003396|KBio2_005964|KBio3_001663|HMS1923C07|HMS2764L19|KUC106430N|BBL027451|BDBM50088360|CCG-38505|STL372771|AKOS000276797|FS-5462|KSC-12-239|SDCCGMLS-0066536.P001|NCGC00095229-01|NCGC00095229-02|NCGC00095229-03|NCGC00095229-04|NCGC00178652-01|2,3,4,5-tetrahydroxy-6-benzo[7]annulenone|2,3,4,5-tetrahydroxybenzocyclohepten-6-one|2,3,4,6-tetrahydroxybenzo[7]annulen-5-one|FT-0632410|C09964|5H-Benzocyclohepten-5-one,3,4,6-tetrahydroxy-|2,3,4,5-tetrakis(oxidanyl)benzo[7]annulen-6-one|SR-01000759730-2|SR-01000759730-3|5H-Benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy- [|BRD-K31023358-001-02-4|BRD-K31023358-001-06-5|BRD-K31023358-001-10-7|BRD-K31023358-001-16-4|2,3,4,6-Tetrahydroxy-5H-benzo[a]cyclohepten-5-one #|(6E,8Z)-2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.680 |
| Log Po/w (XLOGP3) : 2.060 |
| Log Po/w (WLOGP) : 1.020 |
| Log Po/w (MLOGP) : -0.360 |
| Log Po/w (SILICOS-IT) : 1.050 |
| Consensus Log Po/w : 1.090 |