(3R,4aR,8aR)-8a-methyl-5-methylidene-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
PubChem CID: 23426660
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,4aR,8aR)-8a-methyl-5-methylidene-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | DIFRMHMHLVIDPB-RBSFLKMASA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.42 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.703 |
| Compound Name | (3R,4aR,8aR)-8a-methyl-5-methylidene-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5908064 |
| Inchi | InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14,16)10-13/h11,13,16H,3,5-10H2,1-2,4H3/t13-,14-,15-/m1/s1 |
| Smiles | CC(C)[C@@H]1CC[C@]2(CCCC(=C)[C@@]2(C1)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Celastrus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eleutherococcus Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isodon Flexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Source_db:cmaup_ingredients