Summary
IMPPAT Phytochemical identifier: IMPHY013573
Phytochemical name: Proisocalamendiol
Synonymous chemical names:proisocalamendiol
External chemical identifiers:CID:91747185
Chemical structure information
SMILES:
C=C1CCC2[C@@](C1)(C)[C@H](CC[C@]2(C)O)C(C)CInChI:
InChI=1S/C16H28O/c1-11(2)13-8-9-16(5,17)14-7-6-12(3)10-15(13,14)4/h11,13-14,17H,3,6-10H2,1-2,4-5H3/t13-,14?,15-,16+/m1/s1InChIKey:
SRAIGEKKAALUNZ-WZYMTQMTSA-NDeepSMILES:
C=CCCC[C@@]C6)C)[C@H]CC[C@]6C)O))))CC)CFunctional groups:
C=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1Scaffold Graph/Node level:
CC1CCC2CCCCC2C1Scaffold Graph level:
CC1CCC2CCCCC2C1
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: Isodaucane sesquiterpenoids
NP-Likeness score: 3.133
Chemical structure download