(+/-)-Dihydrovesticarpin
PubChem CID: 46881109
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+/-)-dihydrovesticarpin, CHEMBL1089392 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QRKQNCKTZHZBAM-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (+/-)-Dihydrovesticarpin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5153117428571434 |
| Inchi | InChI=1S/C16H14O5/c1-19-14-6-13-10(5-11(14)18)16-9-3-2-8(17)4-12(9)20-7-15(16)21-13/h2-6,15-18H,7H2,1H3 |
| Smiles | COC1=C(C=C2C3C(COC4=C3C=CC(=C4)O)OC2=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients