Odoricarpan
PubChem CID: 10314548
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| Compound Synonyms | Odoricarpan, 10-Hydroxy-3,4,9-trimethoxypterocarpan, LMPK12070087 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-10-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YVRAOSSDJCUVDM-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.701 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.75 |
| Compound Name | Odoricarpan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6665832000000003 |
| Inchi | InChI=1S/C18H18O6/c1-20-12-6-4-9-11-8-23-17-10(15(11)24-16(9)14(12)19)5-7-13(21-2)18(17)22-3/h4-7,11,15,19H,8H2,1-3H3 |
| Smiles | COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4OC)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients