alpha-Copaen-11-ol
PubChem CID: 521030
Connections displayed (default: 10).
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| Compound Synonyms | .alpha.-Copaen-11-ol, Tricyclo[4.4.0.0(2,7)]dec-8-ene-3-methanol, .alpha.,.alpha.,6,8-tetramethyl-, stereoisomer, IKIHFZGZEWTHEQ-UHFFFAOYSA-N, Tricyclo[4.4.0.0(2,7)]dec-8-ene-5-methanol, .alpha.,.alpha.,2,8-tetramethyl-, stereoisomer |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(6,8-dimethyl-3-tricyclo[4.4.0.02,7]dec-8-enyl)propan-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | IKIHFZGZEWTHEQ-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -2.92 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.209 |
| Compound Name | alpha-Copaen-11-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9609072000000003 |
| Inchi | InChI=1S/C15H24O/c1-9-5-6-11-12-10(14(2,3)16)7-8-15(11,4)13(9)12/h5,10-13,16H,6-8H2,1-4H3 |
| Smiles | CC1=CCC2C3C1C2(CCC3C(C)(C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aquilaria Agallocha (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
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FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Bretschneidera Sinensis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Cephalotaxus Sinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
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