10-(2-hydroxy-3-methylbut-3-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
PubChem CID: 74977387
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| Topological Polar Surface Area | 79.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Description | From Dolichos biflorus (papadi). Dolichin B is found in fruits and cowpea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-(2-hydroxy-3-methylbut-3-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 3.2 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Furanoisoflavonoids |
| Molecular Formula | C20H20O5 |
| Inchi Key | LRCYZCCKRIVTHN-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | Dolichin B, Dolichin A |
| Substituent Name | Furanoisoflavonoid skeleton, Coumaronochromone, Pterocarpan, Neolignan skeleton, Isoflavanol, Isoflavan, 1-benzopyran, Benzopyran, Chromane, Benzofuran, Alkyl aryl ether, Benzenoid, Secondary alcohol, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 10-(2-hydroxy-3-methylbut-3-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Kingdom | Organic compounds |
| Exact Mass | 340.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 340.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H20O5/c1-10(2)17(23)8-14-16(22)6-5-12-15-9-24-18-7-11(21)3-4-13(18)20(15)25-19(12)14/h3-7,15,17,20-23H,1,8-9H2,2H3 |
| Smiles | CC(=C)C(CC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pterocarpans |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Unguiculata (Plant) Rel Props:Source_db:fooddb_chem_all