Summary
IMPPAT Phytochemical identifier: IMPHY008903
Phytochemical name: epi-Cubebol
Synonymous chemical names:epi-cubebol, epi-cubebol ?, epicubebol
External chemical identifiers:CID:91753433
Chemical structure information
SMILES:
CC([C@H]1C=C[C@@H]([C@@]23[C@@H]1C2C(C)(O)CC3)C)CInChI:
InChI=1S/C15H24O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h5-6,9-13,16H,7-8H2,1-4H3/t10-,11+,12-,13?,14?,15-/m0/s1InChIKey:
LMCRYOCEDDKMQA-ODXVZILUSA-NDeepSMILES:
CC[C@H]C=C[C@@H][C@@][C@@H]6C3CC)O)CC6))))))C)))))CFunctional groups:
CC=CC, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCC23CCCC2C3C1Scaffold Graph/Node level:
C1CCC23CCCC2C3C1Scaffold Graph level:
C1CCC23CCCC2C3C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Sesquiterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Guaiane sesquiterpenoids
NP-Likeness score: 2.608
Chemical structure download