12a-Hydroxymunduserone
PubChem CID: 14427372
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| Compound Synonyms | 12a-Hydroxymunduserone, 12alpha-Hydroxymunduserone, CHEBI:175596, LMPK12060051, 12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Description | Constituent of Pachyrrhizus erosus (yam bean). 12alpha-Hydroxymunduserone is found in jicama and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 540.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 2.0 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Rotenoids |
| Molecular Formula | C19H18O7 |
| Inchi Key | APAWOEBSLLGWDF-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 12a-Hydroxymunduserone, 12Α-hydroxymunduserone |
| Substituent Name | Rotenone or derivatives, Isoflavanone, Isoflavanol, Isoflavan, Chromone, 1-benzopyran, Benzopyran, Chromane, Aryl alkyl ketone, Aryl ketone, Anisole, Alkyl aryl ether, Benzenoid, Tertiary alcohol, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 12a-Hydroxymunduserone |
| Kingdom | Organic compounds |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C19H18O7/c1-22-10-4-5-11-13(6-10)26-17-9-25-14-8-16(24-3)15(23-2)7-12(14)19(17,21)18(11)20/h4-8,17,21H,9H2,1-3H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C3(C(O2)COC4=CC(=C(C=C43)OC)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Rotenones |
- 1. Outgoing r'ship
FOUND_INto/from Pachyrhizus Erosus (Plant) Rel Props:Source_db:fooddb_chem_all