Tricyclohumuladiol
PubChem CID: 15647027
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | tricyclohumuladiol, 21446-02-6, (1R,2R,4R,5R,8S,9S)-4,8,11,11-tetramethyltricyclo(7.2.0.02,4)undecane-5,8-diol, (1R,2R,4R,5R,8S,9S)-4,8,11,11-tetramethyltricyclo[7.2.0.02,4]undecane-5,8-diol, CHEMBL465350, DTXSID301316114 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2R,4R,5R,8S,9S)-4,8,11,11-tetramethyltricyclo[7.2.0.02,4]undecane-5,8-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | USFOCJBPTUMHRF-DNNYSMPMSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.753 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.718 |
| Compound Name | Tricyclohumuladiol |
| Prediction Hob Swissadme | 0.0 |
| 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 | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9181001999999996 |
| Inchi | InChI=1S/C15H26O2/c1-13(2)7-10-12(13)9-8-14(9,3)11(16)5-6-15(10,4)17/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11-,12-,14-,15+/m1/s1 |
| Smiles | C[C@@]1(CC[C@H]([C@@]2(C[C@@H]2[C@@H]3[C@@H]1CC3(C)C)C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients