CID 42608143
PubChem CID: 42608143
Connections displayed (default: 10).
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| Compound Synonyms | CHEBI:137841, LMPR0103220001 |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Is Pains | False |
| Molecular Formula | C15H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QUNSESJRLJEVEV-VIFPVBQESA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.365 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.642 |
| Compound Name | CID 42608143 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 214.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.583759599999999 |
| Inchi | InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-15(14(9)12)11(3)8-16-13/h7-9H,4-6H2,1-3H3/t9-/m0/s1 |
| Smiles | C[C@H]1CCCC2=C1C3=C(C=C2C)OC=C3C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Farfugium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients