(9S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene
PubChem CID: 5319032
Connections displayed (default: 10).
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| Topological Polar Surface Area | 13.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LSDFTLVXLBHDLA-CDKPOMLUSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.365 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.642 |
| Compound Name | (9S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4537595999999997 |
| Inchi | InChI=1S/C15H18O/c1-8-7-16-14-6-15(3)12(4-10(8)14)9(2)11-5-13(11)15/h7,11-13H,2,4-6H2,1,3H3/t11?,12?,13?,15-/m1/s1 |
| Smiles | CC1=COC2=C1CC3C(=C)C4CC4[C@@]3(C2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients