Summary
SMILES: CC1=CCC2([C@@H]1C2)C(C)CInChI: InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10?/m1/s1InChIKey: KQAZVFVOEIRWHN-YHMJZVADSA-N
DeepSMILES: CC=CCC[C@@H]5C3))CC)C
Scaffold Graph/Node/Bond level: C1=CC2CC2C1
Scaffold Graph/Node level: C1CC2CC2C1
Scaffold Graph level: C1CC2CC2C1
Functional groups: CC=C(C)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Monoterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Monoterpenoids
NP Classifier Class: Thujane monoterpenoids
Synonymous chemical names:α-thujene, alpha thujene, alpha-thujene, athujene, origanene, thujene, alpha, thujene,alpha, α -thujene, α- thujene, α-thujene, α-thujene*, αlpha-thujene
External chemical identifiers:CID:6451618; SureChEMBL:SCHEMBL3452067
Chemical structure download