10(14)-Cadinene-4,5-diol
PubChem CID: 11053721
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| Compound Synonyms | 10(14)-Cadinene-4,5-diol, 672336-50-4, AKOS032962291, FS-8944, (1S,2S,4Ar,8S,8aS)-2-methyl-5-methylidene-8-propan-2-yl-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2S,4aR,8S,8aS)-2-methyl-5-methylidene-8-propan-2-yl-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DQVXKPUFGSPUGZ-YTFOTSKYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.146 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.417 |
| Compound Name | 10(14)-Cadinene-4,5-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8962002 |
| Inchi | InChI=1S/C15H26O2/c1-9(2)11-6-5-10(3)12-7-8-15(4,17)14(16)13(11)12/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12-,13-,14-,15-/m0/s1 |
| Smiles | CC(C)[C@@H]1CCC(=C)[C@H]2[C@H]1[C@@H]([C@@](CC2)(C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taiwania Cryptomerioides (Plant) Rel Props:Source_db:cmaup_ingredients