Fusicoserpenol A
PubChem CID: 5317434
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| Compound Synonyms | Fusicoserpenol A, isopropyl-dimethyl-methylene-[?]diol, (1S,3R,4R,7S,11S,12S)-1,4-dimethyl-8-methylidene-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane-4,12-diol, Dicyclopenta[a,d]cyclooctene-1,7-diol, tetradecahydro-1,9a-dimethyl-4-methylene-7-(1-methylethyl)-, (1R,3aS,6aS,7S,9aS,10aR)- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,3R,4R,7S,11S,12S)-1,4-dimethyl-8-methylidene-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane-4,12-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HAIFQAQHAROQLN-JWLCQNFESA-N |
| Fcsp3 | 0.9 |
| Logs | -4.382 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.562 |
| Compound Name | Fusicoserpenol A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.030438000000001 |
| Inchi | InChI=1S/C20H34O2/c1-13(2)20(22)11-10-18(4)12-16-15(8-9-19(16,5)21)14(3)6-7-17(18)20/h13,15-17,21-22H,3,6-12H2,1-2,4-5H3/t15-,16-,17+,18+,19-,20+/m1/s1 |
| Smiles | CC(C)[C@]1(CC[C@@]2([C@@H]1CCC(=C)[C@H]3CC[C@@]([C@@H]3C2)(C)O)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypoestes Serpens (Plant) Rel Props:Source_db:cmaup_ingredients