| Phytochemical Name : Coumestrol |
| PCNDIDC0265 |
| Pubchem CID : 5281707 |
| Molecular formula: C15H8O5 |
| Canonical SMILES : C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O |
Synonymes : COUMESTROL|479-13-0|Cumoestrol|Cumoesterol|Cumostrol|3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one|3,9-Dihydroxycoumestan|NSC 22842|CCRIS 7311|Cumestrol|EINECS 207-525-6|UNII-V7NW98OB34|BRN 0266702|CHEBI:3908|V7NW98OB34|DTXSID6022399|NSC22842|6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-|NSC-22842|3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one|3,9-dihydroxy-6H-benzofuro[3,2-c]chromen-6-one|CHEMBL30707|3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one|MLS000738006|DTXCID102399|3,9-dihydroxybenzofuro[3,2-c]chromen-6-one|5-19-06-00405 (Beilstein Handbook Reference)|6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-|3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone|7,12-Dihydroxycoumestan|SMR000059001|3,9-dihydroxy-6H-(1)benzofuro(3,2-c)chromen-6-one|3,9-dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one|Coumestrol (COU)|MFCD00016885|COUMESTROL [MI]|D02DML|NCIMech_000078|Oprea1_222511|SCHEMBL22012|MLS000069446|BIDD:ER0114|BDBM23451|GTPL12437|HMS2235B05|HMS3374A07|6H-Benzofuro[3, 3,9-dihydroxy-|Coumestrol, >=95.0% (HPLC)|HY-N2335|Tox21_200032|C15-H8-O5|CCG-35536|CCG-36200|LMPK12090018|AKOS028111776|CS-6343|SMP2_000163|NCGC00018124-01|NCGC00018124-02|NCGC00018124-03|NCGC00018124-04|NCGC00018124-05|NCGC00018124-06|NCGC00023462-03|NCGC00023462-04|NCGC00257586-01|AS-81377|CAS-479-13-0|LS-35394|NCI60_001863|FT-0603177|D85092|S00280|US8552057, 3|3,9-dihydroxy-[1]benzoxolo[3,2-c]chromen-6-one|A827386|Q908865|A1-00298|BRD-K97509413-001-01-8|3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one #|3,9-Dihydroxy-6H-benzo-furo[3,2-c][1]benzopyran-6-one|6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihdyroxy-|Coumestrol, BioReagent, suitable for fluorescence, >=97.5% (HPLC)|2-(2,4-dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic acid delta-lactone|3-Benzofurancarboxylic acid,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone|3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone|3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone (6CI)|5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.800 |
| Log Po/w (XLOGP3) : 2.760 |
| Log Po/w (WLOGP) : 3.100 |
| Log Po/w (MLOGP) : 1.760 |
| Log Po/w (SILICOS-IT) : 2.880 |
| Consensus Log Po/w : 2.460 |