2'-Hydroxydaidzein
PubChem CID: 5280520
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| Compound Synonyms | 2'-Hydroxydaidzein, 7678-85-5, 2',4',7-trihydroxyisoflavone, 3-(2,4-dihydroxyphenyl)-7-hydroxychromen-4-one, 3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, 7,2',4'-trihydroxyisoflavone, 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-7-hydroxy-, UNII-4GQ94T5E87, CHEBI:27479, 4GQ94T5E87, 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one, CHEMBL6694, DTXSID10227589, 2 inverted exclamation marka-Hydroxydaidzein, 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one, 9CI, 2',4',7-Trihydroxyisoflavone, 2'-Hydroxydaidzein, 7,2',4'-Trihydroxyisoflavone, 2''-hydroxydaidzein, SCHEMBL72610, DTXCID10150080, ZCTNPCRBEWXCGP-UHFFFAOYSA-N, HY-N1733, BDBM50142193, LMPK12050083, AKOS022184844, FH69775, FS-9262, DA-49264, CS-0017409, C02495, 3-(2,4-Dihydroxy-phenyl)-7-hvdroxy-chromen-4-one, 3-(2,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-one, Q27103153 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CCC1C1CCCCC1 |
| Np Classifier Class | Isoflavones |
| Deep Smiles | Occcccc6)O))ccoccc6=O))cccc6)O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Isoflavonoids |
| Description | Isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus lunatus (butter bean). 2'-Hydroxydaidzein is found in many foods, some of which are butternut squash, ginger, summer grape, and yam. |
| Scaffold Graph Node Level | OC1C(C2CCCCC2)COC2CCCCC21 |
| Classyfire Subclass | Isoflav-2-enes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P06760, P00697 |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-7-hydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflav-2-enes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O5 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccccc2)coc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCTNPCRBEWXCGP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -3.477 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 2.555 |
| Synonyms | 2'-Hydroxydaidzein, 2',4',7-Trihydroxyisoflavone, 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one, 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one, 9CI, 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, 7,2',4'-Trihydroxyisoflavone, 3-(2,4-Dihydroxyphenyl)-7-hydroxychromen-4-one, 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one, 9ci, 2',4',7-THIF, 2'-hydroxydaidzein, 2,4,7-trihydroxyisoflavone |
| Substituent Name | Hydroxyisoflavonoid, Isoflavone, Chromone, 1-benzopyran, Benzopyran, Resorcinol, Pyranone, Phenol, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 2'-Hydroxydaidzein |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.879388 |
| Inchi | InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H |
| Smiles | C1=CC(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Isoflavones |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Assamica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Crotalaria Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:fooddb_chem_all