Cinnamolide
PubChem CID: 12303261
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cinnamolide, (-)-Cinnamolide, 23599-47-5, (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one, Naphtho(1,2-c)furan-3(1H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-6,6,9a-trimethyl-, (5aS-(5a-alpha,9a-beta,9b-alpha))-, (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo(e)(2)benzofuran-3-one, CHEMBL218666, CHEBI:202004, DTXSID201339979, BDBM50465349, AKOS040762611, CS-0203775, (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-3-one, (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e]isobenzofuran-3-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P43681, P32297, P36544 |
| Iupac Name | (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT410 |
| Xlogp | 4.0 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UMUMRNRVJNFLPT-SLEUVZQESA-N |
| Fcsp3 | 0.8 |
| Logs | -4.406 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.619 |
| Compound Name | Cinnamolide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8192017999999996 |
| Inchi | InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h5,11-12H,4,6-9H2,1-3H3/t11-,12-,15+/m0/s1 |
| Smiles | C[C@]12CCCC([C@@H]1CC=C3[C@@H]2COC3=O)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamosma Macrocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Drimys Winteri (Plant) Rel Props:Source_db:npass_chem_all