Verbenone, (+)-
PubChem CID: 65724
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| Compound Synonyms | VERBENONE, 18309-32-5, (+)-Verbenone, (R)-(+)-Verbenone, (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one, Verbenone, (+)-, d-Verbenone, (1R)-(+)-VERBENONE, NSC-36846, IFV46DXC6U, (1R,5R)-VERBENONE, Verbinone, CHEBI:9955, (1R,5R)-2-pinen-4-one, NSC36846, 99S17893UW, (1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one, 2-Pinen-4-one, (1R,5R)-(+)-, Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)-, Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one, Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)-, NSC 36846, Verbenone (VAN), Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-, (1R)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one, (1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-ene-2-one, NSC-6832, Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1R-cis)-, UNII-99S17893UW, Verbenone,(d), EINECS 242-195-7, MFCD00064898, (1R,5R)-(+)-2-pinen-4-one, BRN 2042766, AI3-23082, VERBENONE [FHFI], UNII-IFV46DXC6U, (+)-alpha-VERBENONE, D-VERBENONE [MI], (+/-)-VERBENONE, 4,6,6-Trimethyl-(1R)-bicyclohept-3-en-2-one, 4-07-00-00327 (Beilstein Handbook Reference), SCHEMBL3506768, (R)-(+)-alpha-VERBENONE, CHEMBL1409937, FEMA NO. 4216, VERBENONE, (+/-)-, (+)-.ALPHA.-VERBENONE, (1R,5R)-pin-2-en-4-one, DTXSID30885024, (1r)-(+)-pin-2-en-4-one, 2-Pinen-4-one,5R)-(+)-, EINECS 201-292-4, (R)-(+)-.ALPHA.-VERBENONE, AKOS006275697, EPA Pesticide Chemical Code 128986, (1R,5R)-(+)-pin-2-en-4-one, NCGC00142604-01, BS-49285, FV167146, AI3-23127, EN300-89055, E84474, EN300-45195810, A1-02282, (1R-cis)-4,6-Trimethylbicyclo[3.1.1]hept-3-ene-2-one, Bicyclo[3.1.1]hept-3-en-2-one,6,6-trimethyl-, (1R)-, Bicyclo[3.1.1]hept-3-en-2-one,6,6-trimethyl-, (1R-cis)-, rac-(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one, 242-195-7 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q9F4F7 |
| Iupac Name | (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCSCXTJOXBUFGB-SFYZADRCSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.433 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.49 |
| Compound Name | Verbenone, (+)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1762702 |
| Inchi | InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1 |
| Smiles | CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Chrysanthemum Zawadskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all