| Phytochemical Name : Daphnetin |
| PCNDIDD0013 |
| Pubchem CID : 5280569 |
| Molecular formula: C9H6O4 |
| Canonical SMILES : C1=CC(=C(C2=C1C=CC(=O)O2)O)O |
Synonymes : daphnetin|7,8-Dihydroxycoumarin|486-35-1|Daphnetol|7,8-Dihydroxy-2H-chromen-2-one|7,8-Dihydroxy-2H-1-benzopyran-2-one|7,8-dihydroxychromen-2-one|2H-1-Benzopyran-2-one, 7,8-dihydroxy-|TCMDC-125839|7,8-DIHYDROXY-2H-BENZOPYRAN-2-ONE|COUMARIN, 7,8-DIHYDROXY-|EINECS 207-632-8|NSC 633563|BRN 0009372|UNII-XC84571RD2|CHEMBL244948|CHEBI:17313|XC84571RD2|NSC633563|NSC-633563|5-18-03-00211 (Beilstein Handbook Reference)|SMR001230713|SR-01000075820|MFCD00016977|7,8-DIHYDROXY-CHROMEN-2-ONE|1,8-Dihydroxycoumarin|7,8-dihydroxy-coumarin|SpecPlus_000864|DAPHNETIN [MI]|DAPHNETIN [INCI]|Spectrum3_000784|Spectrum4_001254|Lopac-D-5564|Lopac0_000330|Oprea1_044324|BSPBio_002488|KBioGR_001808|MLS002153288|MLS006012039|DivK1c_006960|SCHEMBL128212|7,8-Dihydroxycoumarin, 90%|KBio1_001904|KBio3_001708|DTXSID00197560|HMS3261A21|HMS3656G16|HY-N0281|Tox21_500330|BBL036425|BDBM50206006|CCG-39736|HB0229|HSCI1_000053|s2554|STL558976|7,8-Dihydroxy-2H-chromen-2-one #|AKOS000277449|LP00330|PB17055|SDCCGSBI-0050318.P003|7,8-Dihydroxycoumarin, >=97%, powder|NCGC00015349-01|NCGC00015349-02|NCGC00015349-03|NCGC00015349-04|NCGC00015349-05|NCGC00015349-06|NCGC00015349-12|NCGC00093770-01|NCGC00093770-02|NCGC00261015-01|AS-63138|LS-55162|CS-0008778|D4001|EU-0000106|EU-0100330|FT-0603132|SW000346-2|C03093|D 5564|EN300-7424503|A827573|AE-641/02519040|Q-100543|SR-01000075820-1|SR-01000075820-2|BRD-K61269089-001-01-4|BRD-K61269089-001-02-2|Q27102315 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.810 |
| Log Po/w (XLOGP3) : 2.900 |
| Log Po/w (WLOGP) : 4.000 |
| Log Po/w (MLOGP) : 2.320 |
| Log Po/w (SILICOS-IT) : 3.960 |
| Consensus Log Po/w : 3.200 |

