Critonilide
PubChem CID: 325063
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| Compound Synonyms | CRITONILIDE, 62487-25-6, DTXSID80315164, 5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one, 5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo(g)(1)benzofuran-2-one, .beta.-Cyclocostunolide, (+)-.beta.-Cyclocostunolide, SCHEMBL17301653, DTXCID20266287, Naphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-dimethylene-, (3aS,5aR,9aS,9bS)-, XUYAKPXYKQEFPD-UHFFFAOYSA-N, NSC292653, NSC-292653, (3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylenedecahydronaphtho[1,2-b]furan-2(9bH)-one, Eudesma-4(14),11(13)-dien-12-oic acid, 6.alpha.-hydroxy-, .gamma.-lactone, Naphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-bis(methylene)-, (3aS,5aR,9aS,9bS)-, Naphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-bis(methylene)-, [3aS-(3a.alpha.,5a.beta.,9a.alpha.,9b.beta.)]- |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUYAKPXYKQEFPD-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.821 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.075 |
| Compound Name | Critonilide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5295026 |
| Inchi | InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3 |
| Smiles | CC12CCCC(=C)C1C3C(CC2)C(=C)C(=O)O3 |
| 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