[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol
PubChem CID: 70682365
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| Compound Synonyms | CHEMBL2064473, [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 1.0 |
| Inchi Key | GMYASKWNAWMMGB-HNNXBMFYSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.436 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.555 |
| Compound Name | [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4540079999999995 |
| Inchi | InChI=1S/C15H22O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4,7,16H,5-6,8-10H2,1-3H3/t15-/m0/s1 |
| Smiles | CC1=C([C@@](CC1)(C)C2=CCC(=CC2)CO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cymbidium Aloifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Delphinium Dictyocarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Juniperus Serawschanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ladeania Juncea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ligularia Atroviolacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Peucedanum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Scutellaria Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Trifolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all