Ar-Curcumene
PubChem CID: 3083834
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| Compound Synonyms | Ar-Curcumene, (+)-alpha-Curcumene, 4176-06-1, (S)-ar-Curcumene, 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene, Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (S)-, (+)-Curcumene, (S)-(-)-alpha-curcumene, DTXSID00905046, AKOS040761368, LMPR0103060015, 1ST164444, HY-112006, CS-0042339, (S)-1-methyl-4-(6-methylhept-5-en-2-yl)benzene, 4-[(1S)-1,5-dimethylhex-4-enyl]-1-methylbenzene, 1-[(1S)-1,5-dimethylhex-4-enyl]-4-methyl-benzene, Benzene, 1-[(1S)-1,5-dimethyl-4-hexenyl]-4-methyl- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VMYXUZSZMNBRCN-AWEZNQCLSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -5.657 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.553 |
| Compound Name | Ar-Curcumene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.515914199999999 |
| Inchi | InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1 |
| Smiles | CC1=CC=C(C=C1)[C@@H](C)CCC=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Curcuma Aromatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (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 Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all