11beta,13-Dihydrocostunolide
PubChem CID: 44559656
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 11beta,13-dihydrocostunolide, CHEMBL459398 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,3aS,9bS)-3,9-dimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.8 |
| Molecular Formula | C14H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NVKPIHNJIZGFRA-GAFUQQFSSA-N |
| Fcsp3 | 0.6428571428571429 |
| Logs | -4.44 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.025 |
| Compound Name | 11beta,13-Dihydrocostunolide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 218.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3526352 |
| Inchi | InChI=1S/C14H18O2/c1-8-4-3-5-10-6-7-11-9(2)14(15)16-13(11)12(8)10/h5,9,11,13H,3-4,6-7H2,1-2H3/t9-,11-,13-/m0/s1 |
| Smiles | C[C@H]1[C@@H]2CCC3=CCCC(=C3[C@H]2OC1=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients