(-)-Variabilin
PubChem CID: 627142
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| Compound Synonyms | (-)-Variabilin, 370102-93-5, CID 44428627, Variabilin?, (6aS,11aS)-3,9-dimethoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-6a-ol, SCHEMBL13743175, VVPGAJNPGZZNBM-UHFFFAOYSA-N, AKOS040735078, B0005-458301, 3,9-Dimethoxy-6H-[1]benzofuro[3,2-c]chromen-6a(11ah)-ol #, 6H-Benzofuro[3,2-c][1]benzopyran-6a(11aH)-ol, 3,9-dimethoxy-, (6aR-cis)- |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Isolated from leaves or cotyledons of Lens culinaris (lentil) and Trifolium pratense (red clover). Homopisatin is found in many foods, some of which are lentils, herbs and spices, tea, and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 416.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,9-dimethoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-6a-ol |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 1.9 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Furanoisoflavonoids |
| Molecular Formula | C17H16O5 |
| Inchi Key | VVPGAJNPGZZNBM-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 6a-Hydroxy-3,9-dimethoxypterocarpan, Homopisatin, Variabilin? |
| Compound Name | (-)-Variabilin |
| Kingdom | Organic compounds |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| 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/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C3C(CO2)(C4=C(O3)C=C(C=C4)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pterocarpans |
- 1. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Source_db:fooddb_chem_all