2'-Hydroxyformononetin
PubChem CID: 5280551
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| Compound Synonyms | 2'-Hydroxyformononetin, Xenognosin B, 1890-99-9, 2'-Hydroformononetin, 2',7-dihydroxy-4'-methoxyisoflavone, 2-HYDROXYFORMONONETIN, CHEBI:17678, 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one, 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one, DTXSID30415062, 7,2'-Dihydroxy-4'-methoxyisoflavone, C02920, SCHEMBL72611, CHEMBL253514, DTXCID90365913, XKHHKXCBFHUOHM-UHFFFAOYSA-N, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-, LMPK12050081, FH137806, Q23055344, 7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Isolated from Trifolium repens (white clover). 2'-Hydroxyformononetin is found in many foods, some of which are daikon radish, chervil, pummelo, and turmeric. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P18031, Q16236 |
| Iupac Name | 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Xlogp | 2.4 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated isoflavonoids |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XKHHKXCBFHUOHM-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.535 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 2.756 |
| Synonyms | 2-HYDROXYFORMONONETIN, 2'-Hydroformononetin, 2'-Hydroxyformononetin, 2',7-Dihydroxy-4'-methoxyisoflavone, 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one, 7,2'-Dihydroxy-4'-methoxyisoflavone, Xenognosin B, Xenognosin b, 7-Hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one |
| Substituent Name | 4p-o-methylisoflavone, Hydroxyisoflavonoid, Isoflavone, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Methoxybenzene, Phenol ether, Anisole, Pyranone, Phenol, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 2'-Hydroxyformononetin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.0737649238095233 |
| Inchi | InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3 |
| Smiles | COC1=CC(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 4'-O-methylisoflavones |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Colorata (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Millettia Brandisiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all