CID 10099
PubChem CID: 10099
Connections displayed (default: 10).
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| Compound Synonyms | (2R,5S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene, 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,5S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IRAQOCYXUMOFCW-UQJCBBSYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.752 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.731 |
| Compound Name | CID 10099 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0176134 |
| Inchi | InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12?,13+,15?/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2C13CC=C(C(C3)C2(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Arthrocnemum Indicum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Bryodesma Indicum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Canarium Indicum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Cerastium Indicum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
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FOUND_INto/from Chrysanthemum Boreale (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Chrysanthemum Coronarium (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Chrysanthemum Griffithii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Chrysanthemum Lavandulifolium (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Chrysanthemum Leptophyllum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 15. Outgoing r'ship
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FOUND_INto/from Chrysanthemum Zawadskii (Plant) Rel Props:Reference: - 22. Outgoing r'ship
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FOUND_INto/from Euphrasia Officinale (Plant) Rel Props:Reference: - 30. Outgoing r'ship
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