(1R,4aS,6R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diol
PubChem CID: 11379428
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL489130 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,4aS,6R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SWIPEIJPNVNEPT-GBJTYRQASA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.802 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.659 |
| Compound Name | (1R,4aS,6R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8584001999999997 |
| Inchi | InChI=1S/C15H26O2/c1-10(2)15(17)8-7-14(4)12(9-15)11(3)5-6-13(14)16/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+/m0/s1 |
| Smiles | CC(C)[C@]1(CC[C@]2([C@@H](CCC(=C)[C@@H]2C1)O)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Gmelinii (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Betula Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ranunculus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ruta Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all