12a-Hydroxypachyrrhizone
PubChem CID: 5318311
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| Compound Synonyms | 12a-Hydroxypachyrrhizone, (+)-12a-Hydroxypachyrrhizone, 1-hydroxy-16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one, 1-hydroxy-16-methoxy-5,7,11,14,18-pentaoxahexacyclo(11.11.0.02,10.04,8.015,23.017,21)tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one, 28768-44-7, CHEBI:191831, LMPK12060037 |
|---|---|
| Topological Polar Surface Area | 96.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | DDGYXSWHWAQNRQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Substituent Name | Rotenone or derivatives, Isoflavanone, Isoflavanol, Isoflavan, Furanochromone, Chromone, 1-benzopyran, Benzopyran, Chromane, Benzofuran, Benzodioxole, Aryl alkyl ketone, Aryl ketone, Anisole, Alkyl aryl ether, Benzenoid, Heteroaromatic compound, Tertiary alcohol, Furan, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound |
| Synonyms | 12a-Hydroxypachyrrhizone |
| Heavy Atom Count | 28.0 |
| Compound Name | 12a-Hydroxypachyrrhizone |
| Kingdom | Organic compounds |
| Description | Isolated from yam beans (Pachyrrhizus erosus). (+)-12a-Hydroxypachyrrhizone is found in jicama and pulses. |
| Exact Mass | 382.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.069 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 656.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 382.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Uniprot Id | P22309 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one |
| Total Atom Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Isoflavonoids |
| Inchi | InChI=1S/C20H14O8/c1-23-18-16-9(2-3-24-16)4-10-17(18)28-15-7-25-12-6-14-13(26-8-27-14)5-11(12)20(15,22)19(10)21/h2-6,15,22H,7-8H2,1H3 |
| Smiles | COC1=C2C(=CC3=C1OC4COC5=CC6=C(C=C5C4(C3=O)O)OCO6)C=CO2 |
| Xlogp | 2.3 |
| Superclass | Phenylpropanoids and polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Rotenoids |
| Taxonomy Direct Parent | Rotenones |
| Molecular Formula | C20H14O8 |
- 1. Outgoing r'ship
FOUND_INto/from Pachyrrhizus Erosus (Plant) Rel Props:Source_db:fooddb_chem_all