(-)-Cadin-4,10(15)-dien-11-oic acid
PubChem CID: 25112513
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| Compound Synonyms | (-)-Cadin-4,10(15)-dien-11-oic acid, 1124353-23-6, AKOS040763498, FS-8341 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4aS,8R,8aS)-5-methylidene-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DTPZSZZVUKXNSJ-MGPQQGTHSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.46 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.191 |
| Compound Name | (-)-Cadin-4,10(15)-dien-11-oic acid |
| Prediction Hob Swissadme | 1.0 |
| 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 | -4.0274522 |
| Inchi | InChI=1S/C15H22O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h8-9,12-14H,3-7H2,1-2H3,(H,16,17)/t12-,13-,14-/m1/s1 |
| Smiles | CC(C)[C@H]1CCC(=C)[C@@H]2[C@@H]1C=C(CC2)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cremastra Appendiculata (Plant) Rel Props:Source_db:cmaup_ingredients