3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan
PubChem CID: 44257468
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| Compound Synonyms | 3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan, LMPK12070094 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | YKTZRMXYANFKQR-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Substituent Name | Furanoisoflavonoid skeleton, Coumaronochromone, Pterocarpan, Isoflavanol, Isoflavan, 1-benzopyran, Methoxyphenol, Benzopyran, Chromane, Benzofuran, Anisole, Alkyl aryl ether, Benzenoid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Synonyms | 1-Methoxyphaseollidin, 3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan |
| Heavy Atom Count | 26.0 |
| Compound Name | 3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan |
| Kingdom | Organic compounds |
| Description | Isolated from seeds of Psophocarpus tetragonolobus (winged bean). 1-Methoxyphaseollidin is found in winged bean and pulses. |
| Exact Mass | 354.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.147 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Total Atom Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Isoflavonoids |
| Inchi | InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)C |
| Xlogp | 4.2 |
| Superclass | Phenylpropanoids and polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Furanoisoflavonoids |
| Taxonomy Direct Parent | Pterocarpans |
| Molecular Formula | C21H22O5 |
- 1. Outgoing r'ship
FOUND_INto/from Psophocarpus Tetragonolobus (Plant) Rel Props:Source_db:fooddb_chem_all