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(-)-alpha-Curcumene

PubChem CID: 442360

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Compound Synonyms (-)-alpha-curcumene, l-alpha-Curcumene, 4176-17-4, (R)-(-)-curcumene, (R)-curcumene, (R)-(-)-alpha-curcumene, 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene, 4-[(1R)-1,5-dimethylhex-4-enyl]-1-methylbenzene, Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)-, CHEBI:10225, L-a-Curcumene, (R)-ar-Curcumene, (-)-a-Curcumene, (R)-1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene, (R)-(-)-a-Curcumene, CHEMBL469717, DTXSID50194584, C09649, Q27108606
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;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene
Prediction Hob 1.0
Class Prenol lipids
Xlogp 5.4
Superclass Lipids and lipid-like molecules
Subclass Sesquiterpenoids
Molecular Formula C15H22
Prediction Swissadme 0.0
Inchi Key VMYXUZSZMNBRCN-CQSZACIVSA-N
Fcsp3 0.4666666666666667
Logs -5.761
Rotatable Bond Count 4.0
Logd 4.652
Synonyms (R)-(-)-alpha-Curcumene, (R)-(-)-Curcumene, (R)-Curcumene, 4-[(1R)-1,5-Dimethylhex-4-enyl]-1-methylbenzene, L-alpha-Curcumene, (R)-1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene, (R)-(-)-a-Curcumene, (R)-(-)-Α-curcumene, L-a-Curcumene, L-Α-curcumene, (-)-a-Curcumene, (-)-Α-curcumene, (R)-Isomer OF alpha-curcumene, 1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene, 2-Methyl-6-p-tolyl-2-heptene, alpha-Curcumene, (S)-Isomer OF alpha-curcumene, Ar-curcumene
Compound Name (-)-alpha-Curcumene
Kingdom Organic compounds
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
Molecular Framework Aromatic homomonocyclic compounds
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-/m1/s1
Smiles CC1=CC=C(C=C1)[C@H](C)CCC=C(C)C
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Sesquiterpenoids