(1S,3R)-cis-4-Carene
PubChem CID: 16211586
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| Compound Synonyms | (1S,3R)-cis-4-Carene, 5208-49-1, (1R,4R,6S)-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE, 4-Carene, cis-(-)-, 4-Carene, cis-, (1R,4R)-4,7,7-Trimethylbicyclo[4.1.0]hept-2-ene, cis-(-)-4-Carene, 0JSZ9BHM52, 70YIT2H368, 4-Carene, (1S,3R,6R)-(-)-, Bicyclo(4.1.0)hept-2-ene, 4,7,7-trimethyl-, (1R,4R,6S)-, 62839-99-0, UNII-70YIT2H368, UNII-0JSZ9BHM52, DTXSID101031487, AKOS017343757, (1S,3R)-cis-4-Carene, >=95.0% (sum of enantiomers, GC), Bicyclo(4.1.0)hept-2-ene, 4,7,7-trimethyl-, (1alpha,4beta,6alpha)-, BICYCLO(4.1.0)HEPT-2-ENE, 4,7,7-TRIMETHYL-, (1.ALPHA.,4.BETA.,6.ALPHA.)-, 622-565-8 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,4R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGNSZMLHOYDATP-YIZRAAEISA-N |
| Fcsp3 | 0.8 |
| Logs | -4.095 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.427 |
| Compound Name | (1S,3R)-cis-4-Carene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7384756 |
| Inchi | InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7-,8+,9-/m0/s1 |
| Smiles | C[C@@H]1C[C@H]2[C@H](C2(C)C)C=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cedrus Deodara (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients