| Phytochemical Name : Esculetin |
| PCNDIDE0065 |
| Pubchem CID : 5281416 |
| Molecular formula: C9H6O4 |
| Canonical SMILES : C1=CC(=O)OC2=CC(=C(C=C21)O)O |
Synonymes : Esculetin|305-01-1|6,7-DIHYDROXYCOUMARIN|Aesculetin|6,7-Dihydroxy-2H-chromen-2-one|Cichorigenin|Esculetol|Cichoriin aglucon|Esculatin|Esculin aglucon|Esculin aglycon|Cichoriin aglycon|Asculetine|6,7-dihydroxychromen-2-one|2H-1-Benzopyran-2-one, 6,7-dihydroxy-|6,7-Dihydroxy-2H-1-benzopyran-2-one|6,7-Dihydroxy-2-benzopyrone|Coumarin, 6,7-dihydroxy-|91753-33-2|NSC 26428|CCRIS 7065|6,7-bis(oxidanyl)chromen-2-one|6,7-Dihydroxycounmarin|EINECS 206-161-5|MFCD00006874|BRN 0152788|UNII-SM2XD6V944|MLS000069479|CHEMBL244743|SM2XD6V944|CHEBI:490095|2,6-Dihydroxy-7H-chromen-7-one|6,7-dihydroxy-1-benzopyran-2-one|NSC26428|NSC-26428|SMR000059055|5-18-03-00202 (Beilstein Handbook Reference)|esculetine|Esculetol)|Aesculetin ,(S)|Cichorigenin|Aesculetin|Spectrum_001166|Aesculetin (cichorigenin|6,7-dihydroxy-coumarin|SpecPlus_000334|ESCULETIN [MI]|ESCULETIN [INCI]|Prestwick0_000940|Prestwick1_000940|Prestwick2_000940|Prestwick3_000940|Spectrum2_000586|Spectrum3_000752|Spectrum4_001886|Spectrum5_000512|bmse000986|D0YZ5G|Oprea1_719746|SCHEMBL24641|6,7-Dihydroxy-2-chromenone|BSPBio_000880|BSPBio_002364|KBioGR_002416|KBioSS_001646|6,7-Dihydroxycoumarin, 8CI|DivK1c_006430|Esculetin, analytical standard|SPECTRUM1500899|SPBio_000432|SPBio_003049|6,7-Dihydroxycoumarin, 98%|BPBio1_000968|GTPL5180|DTXSID3075383|BDBM34571|cid_5281416|KBio1_001374|KBio2_001646|KBio2_004214|KBio2_006782|KBio3_001584|DTXSID801293090|HMS1570L22|HMS1921M14|HMS2097L22|HMS2233G24|HMS3373K09|KUC108669N|AMY25634|EX-A6796|HY-N0284|Coumarin, 6,7-dihydroxy- Esculetin|BBL037229|CCG-38509|s4711|STL560155|6,7-Dihydroxy-2H-chromen-2-one #|AKOS000276955|Esculetin [Matrix for MALDI-TOF/MS]|SDCCGMLS-0066669.P001|2,6-Dihydroxy-7H-1-benzopyran-7-one|SMP2_000093|NCGC00016425-01|NCGC00016425-02|NCGC00016425-03|NCGC00016425-04|NCGC00016425-05|NCGC00016425-06|NCGC00094873-01|NCGC00094873-02|AC-18400|AC-34573|AS-11863|CAS-305-01-1|KSC-11-243-1|LS-55161|NCI60_002119|SY036794|AB00489955|CS-0008780|E0386|E1287|FT-0620854|A14553|C09263|E-3400|E-3401|O11524|2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI)|A820407|SR-01000721907|Q3058018|SR-01000721907-2|BRD-K58149231-001-06-9|BRD-K58149231-001-10-1|B0005-464319|Esculetin, European Pharmacopoeia (EP) Reference Standard|HFC |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.250 |
| Log Po/w (XLOGP3) : 1.220 |
| Log Po/w (WLOGP) : 1.200 |
| Log Po/w (MLOGP) : 0.450 |
| Log Po/w (SILICOS-IT) : 1.460 |
| Consensus Log Po/w : 1.120 |

