(4R,4aR,7R)-4-hydroxy-1-methyl-7-prop-1-en-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
PubChem CID: 162859387
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4R,4aR,7R)-4-hydroxy-1-methyl-7-prop-1-en-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C14H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CJYUTPXYHGLSIV-JTNHKYCSSA-N |
| Fcsp3 | 0.6428571428571429 |
| Logs | -2.516 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.316 |
| Compound Name | (4R,4aR,7R)-4-hydroxy-1-methyl-7-prop-1-en-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 220.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4566344 |
| Inchi | InChI=1S/C14H20O2/c1-8(2)10-4-5-11-12(6-10)9(3)13(15)7-14(11)16/h10-11,14,16H,1,4-7H2,2-3H3/t10-,11-,14-/m1/s1 |
| Smiles | CC1=C2C[C@@H](CC[C@H]2[C@@H](CC1=O)O)C(=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Pharicus (Plant) Rel Props:Source_db:cmaup_ingredients