(6aR,11aR)-pterocarpan
PubChem CID: 13577737
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| Compound Synonyms | (6aR,11aR)-pterocarpan, (6aR,11aR)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene, CHEBI:73133, (6aR,11aR)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene, SCHEMBL1249193, Q27140331 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,11aR)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LZEPVVDVBJUKSG-WFASDCNBSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.798 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.45 |
| Compound Name | (6aR,11aR)-pterocarpan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7372587411764706 |
| Inchi | InChI=1S/C15H12O2/c1-4-8-14-10(5-1)12-9-16-13-7-3-2-6-11(13)15(12)17-14/h1-8,12,15H,9H2/t12-,15-/m0/s1 |
| Smiles | C1[C@@H]2[C@H](C3=CC=CC=C3O1)OC4=CC=CC=C24 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients