Sinugibberodiol
PubChem CID: 20055947
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| Compound Synonyms | sinugibberodiol, Eleganodiol, (1S,5R,9R)-2,6-dimethylidene-9-prop-1-en-2-ylcyclodecane-1,5-diol, CHEMBL227267, 864530-17-6 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,5R,9R)-2,6-dimethylidene-9-prop-1-en-2-ylcyclodecane-1,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LFGFKWGAGHTKPW-KFWWJZLASA-N |
| Fcsp3 | 0.6 |
| Logs | -2.587 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.556 |
| Compound Name | Sinugibberodiol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8333009999999996 |
| Inchi | InChI=1S/C15H24O2/c1-10(2)13-7-5-11(3)14(16)8-6-12(4)15(17)9-13/h13-17H,1,3-9H2,2H3/t13-,14-,15+/m1/s1 |
| Smiles | CC(=C)[C@@H]1CCC(=C)[C@@H](CCC(=C)[C@H](C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Auriculiformis (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thunbergia Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all