(1S,8aR)-1-methyl-6-methylidene-4-propan-2-yl-5,7,8,8a-tetrahydro-2H-naphthalene-1,4a-diol
PubChem CID: 5315610
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,8aR)-1-methyl-6-methylidene-4-propan-2-yl-5,7,8,8a-tetrahydro-2H-naphthalene-1,4a-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | USTNWHUHFGWSGY-GNXJLENFSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.565 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.565 |
| Compound Name | (1S,8aR)-1-methyl-6-methylidene-4-propan-2-yl-5,7,8,8a-tetrahydro-2H-naphthalene-1,4a-diol |
| 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 | -2.3167009999999997 |
| Inchi | InChI=1S/C15H24O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h7,10,13,16-17H,3,5-6,8-9H2,1-2,4H3/t13-,14+,15?/m1/s1 |
| Smiles | CC(C)C1=CC[C@]([C@@H]2C1(CC(=C)CC2)O)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients