3'-Hydroxy-8-O-methylretusin
PubChem CID: 44257262
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| Compound Synonyms | 3'-Hydroxy-8-O-methylretusin, 53947-99-2, 3',7-Dihydroxy-4',8-dimethoxyisoflavone, CHEMBL465572, CHEBI:175021, DTXSID401277850, LMPK12050140, 7,3'-dihydroxy-8,4'-dimethoxyisoflavone, 7,3a(2)-Dihydroxy-8,4a(2)-dimethoxyisoflavone, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-one, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy- |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from Myroxylon balsamum (Tolu balsam) |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P47199 |
| Iupac Name | 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Xlogp | 2.4 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated isoflavonoids |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYWSNCLFZSMGCM-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.97 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 2.548 |
| Synonyms | 3'-Hydroxy-8-O-methylretusin, 3',7-Dihydroxy-4',8-dimethoxyisoflavone, 3beta,7beta,15alpha,20-Tetrahydroxy-11,23-dioxo-5alpha-lanost-8-en-26-Oic acid, 6-Hydroxy-2-methyl-4-oxo-6-{5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoate, Ganoderate L |
| Compound Name | 3'-Hydroxy-8-O-methylretusin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.125999208695652 |
| Inchi | InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 3'-hydroxy,4'-methoxyisoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Dipteryx Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all