(1S,6S,8aS)-8a-(hydroxymethyl)-4-methyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol
PubChem CID: 162973974
Connections displayed (default: 10).
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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 | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,6S,8aS)-8a-(hydroxymethyl)-4-methyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IMAPJGYQXHREBA-AEGPPILISA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.951 |
| Rotatable Bond Count | 2.0 |
| Logd | 5.023 |
| Compound Name | (1S,6S,8aS)-8a-(hydroxymethyl)-4-methyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol |
| 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 | -2.8807009999999997 |
| Inchi | InChI=1S/C15H24O2/c1-10(2)12-6-7-15(9-16)13(8-12)11(3)4-5-14(15)17/h12,14,16-17H,1,4-9H2,2-3H3/t12-,14-,15+/m0/s1 |
| Smiles | CC1=C2C[C@H](CC[C@@]2([C@H](CC1)O)CO)C(=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Lutea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Viscum Multinerve (Plant) Rel Props:Source_db:cmaup_ingredients