Summary
SMILES: CC1=C[C@@H]2[C@@](CC1)(O)[C@H](C)CC[C@H]2C(C)CInChI: InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m1/s1InChIKey: COGPRPSWSKLKTF-QPSCCSFWSA-N
DeepSMILES: CC=C[C@@H][C@@]CC6))O)[C@H]C)CC[C@H]6CC)C
Scaffold Graph/Node/Bond level: C1=CC2CCCCC2CC1
Scaffold Graph/Node level: C1CCC2CCCCC2C1
Scaffold Graph level: C1CCC2CCCCC2C1
Functional groups: CC(C)=CC; CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Sesquiterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Cadinane sesquiterpenoids|Zizaane sesquiterpenoids
Synonymous chemical names:1 -epi-cubenol, 1-epi-cubenoi*, 1-epi-cubenol, 1-epi-cubenol b, 1-epi-cubenol⁄7, epi-cubenol, i-epi-cubenol, l-epi-cubenol
External chemical identifiers:CID:12046149; ChEBI:156227; ZINC:ZINC000012153511
Chemical structure download