(+)-cis-Verbenol
PubChem CID: 164888
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| Compound Synonyms | (+)-cis-verbenol, 13040-03-4, cis-Verbenol, (R)-cis-Verbenol, Verbenol, (R)-cis-, (1R)-cis-Verbenol, Verbenol, (+)-cis-, (1R,2R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol, (R)-(+)-cis-Verbenol, UNII-T0QZZ8E09C, T0QZZ8E09C, (1R,4R,5R)-cis-Verbenol, EINECS 235-908-8, VERBENOL, R-CIS-, (1S)-(+)-Cis-verbenol, DTXSID50156506, VERBENOL, (R)-(+)-CIS-, 2-PINEN-4-OL, (1R,4R,5R)-(+)-, BICYCLO(3.1.1)HEPT-3-EN-2-OL, 4,6,6-TRIMETHYL-, (1R,2R,5R)-, 1820-09-3, 1845-30-3, (1alpha,2alpha,5alpha)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol, SCHEMBL596019, DTXCID1078997, DTXSID0058273, (1R-(1alpha,2beta,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol, AKOS006282587, AC-30318, FS176288, (1R, 4R, 5R)-(+)-2-pinen-4-ol, NS00081605, Q27289517, rel-(1R,2R,5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol, (1r,2r)-(-)-cis-4,6,6-trimethyl bicyclo [3.1.1]hept-3-en-2-ol, 235-908-8 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WONIGEXYPVIKFS-HRDYMLBCSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.04 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.015 |
| Compound Name | (+)-cis-Verbenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7746694 |
| Inchi | InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m1/s1 |
| Smiles | CC1=C[C@H]([C@@H]2C[C@H]1C2(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Cyperus Haspan (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Goniothalamus Thwaitesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Salvinia Imbricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuisfolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all