(6aR,11aR)-3-Hydroxy-9,10-dimethoxypterocarpan
PubChem CID: 14077830
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| Compound Synonyms | 73340-41-7, Astrapterocarpan, Methylnissolin, 3-Hydroxy-9,10-dimethoxyptercarpan, CHEMBL5269655, (6aR,11aR)-3-Hydroxy-9,10-dimethoxypterocarpan, (6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol, SCHEMBL25824259, CHEBI:81072, (6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol, DTXSID901248967, HY-N2484, BDBM50615214, MFCD08061495, AKOS030530357, AC-34598, MS-24325, XM173149, DB-331328, CS-0022755, C17416, Q27155029, 3-Hydroxy-9,10-dimethoxyptercarpan, Medicarpin, Methylnissolin, (6ar,11ar)-9,10-dimethoxy6a,11a-dihydro-6h-benzofurano [3,2-c]chromen-3-ol |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UOVGCLXUTLXAEC-WFASDCNBSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.81 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.811 |
| Compound Name | (6aR,11aR)-3-Hydroxy-9,10-dimethoxypterocarpan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| 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 |
| Esol | -3.5989583636363633 |
| Inchi | InChI=1S/C17H16O5/c1-19-13-6-5-10-12-8-21-14-7-9(18)3-4-11(14)15(12)22-16(10)17(13)20-2/h3-7,12,15,18H,8H2,1-2H3/t12-,15-/m0/s1 |
| Smiles | COC1=C(C2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Astragalus Mongholicus (Plant) Rel Props:Source_db:cmaup_ingredients