(1R,3R,4R,6S,8S,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-9-ene-3,4,6,14-tetrol
PubChem CID: 155519097
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4447369 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 611.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1R,3R,4R,6S,8S,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-9-ene-3,4,6,14-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C20H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCPAOFXVNJJPDS-OZONLNBASA-N |
| Fcsp3 | 0.9 |
| Logs | -3.415 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.338 |
| Compound Name | (1R,3R,4R,6S,8S,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-9-ene-3,4,6,14-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 336.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4175264000000003 |
| Inchi | InChI=1S/C20H32O4/c1-11-13-6-5-12-8-19(13,10-18(12,4)23)9-16(22)20(24)14(11)7-15(21)17(20,2)3/h12,14-16,21-24H,5-10H2,1-4H3/t12-,14+,15+,16-,18-,19-,20+/m1/s1 |
| Smiles | CC1=C2CC[C@@H]3C[C@@]2(C[C@H]([C@]4([C@H]1C[C@@H](C4(C)C)O)O)O)C[C@@]3(C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pieris Japonica (Plant) Rel Props:Source_db:cmaup_ingredients