8-Hydroxydaidzein
PubChem CID: 5466139
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| Compound Synonyms | 75187-63-2, 7,8,4'-Trihydroxyisoflavone, 8-Hydroxydaidzein, 7,8-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one, 7,8-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one, 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, 4',7,8-Trihydroxyisoflavone, 7KW44TB2DE, MFCD00885567, 4H-1-Benzopyran-4-one,7,8-dihydroxy-3-(4-hydroxyphenyl)-, NSC678112, YN1, NSC 678112, NSC-678112, CHEMBL242739, DTXSID20226169, 7,8-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 7,8-dihydroxy-3-(4-hydroxyphenyl)-, 7, 8-Dihydroxy-3-(4-hydroxyphenyl) chromen-4-one, 3-(4-HYDROXYPHENYL)-7,8-BIS(OXIDANYL)CHROMEN-4-ONE, 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, Demethylretusin, 4'78-Trihydroxyisoflavone, 7,4'-Trihydroxyisoflavone, 784'-Trihydroxyisoflavone, UNII-7KW44TB2DE, SCHEMBL571127, 4'',7,8-trihydroxyisoflavone, 7,8,4''-trihydroxyisoflavone, DTXCID70148660, CHEBI:174540, GLXC-04255, HMS3740E05, BDBM50209568, LMPK12050137, AKOS015996514, FD69740, AS-70075, PD119301, SY064189, DB-004234, CS-0105338, D81761, 7,8-Dihydroxy-3-(4-hydroxyphenyl) chromen-4-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from Streptomyces species OH-1049 cultured on soybean meal. 8-Hydroxydaidzein is found in soy bean and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14916, P47989, P11344, n.a., Q16875, P0DTD1 |
| Iupac Name | 7,8-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Target Id | NPT967, NPT4407 |
| Xlogp | 2.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflav-2-enes |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BMZFZTMWBCFKSS-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.623 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.219 |
| Synonyms | 4',7,8-Trihydroxyisoflavone, 4H-1-Benzopyran-4-one, 7,8-dihydroxy-3-(4-hydroxyphenyl)-, 7,8-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one, 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, 7,8-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one, 7,8,4'-Trihydroxyisoflavone, 8-Hydroxydaidzein, NSC 678112 |
| Substituent Name | Hydroxyisoflavonoid, Isoflavone, Chromone, 1-benzopyran, Benzopyran, 1,2-diphenol, Pyranone, Phenol, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 8-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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.879388 |
| Inchi | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H |
| Smiles | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Assamica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dasycladus Vermicularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Echinops Transiliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Fraxinus Angustifolia (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Haemanthus Amarylloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Hedysarum Theinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lantana Montevidensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Muscari Botryoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Olearia Pimeleoides (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Salvia Castanea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Senecio Suaveolens (Plant) Rel Props:Source_db:npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Sophora Mollis (Plant) Rel Props:Source_db:npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Stellaria Holostea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Teclea Gerrardii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Thalictrum Flavum (Plant) Rel Props:Source_db:npass_chem_all