Megastigm-7-ene-3,9-diol
PubChem CID: 91748032
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| Compound Synonyms | megastigm-7-ene-3,9-diol, WIYDYJDQKNCJRC-AATRIKPKSA-N |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WIYDYJDQKNCJRC-AATRIKPKSA-N |
| Fcsp3 | 0.8461538461538461 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | Megastigm-7-ene-3,9-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 233.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.33 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-ol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -2.5112646 |
| Inchi | InChI=1S/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,9-12,14-15H,7-8H2,1-4H3/b6-5+ |
| Smiles | CC1CC(CC(C1/C=C/C(C)O)(C)C)O |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C13H24O2 |
- 1. Outgoing r'ship
FOUND_INto/from Sedum Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients