Summary
IMPPAT Phytochemical identifier: IMPHY017647
Phytochemical name: Selina-4,11-dien-14-oic acid
Synonymous chemical names:selina-4,11-dien-14-olc acid
External chemical identifiers:CID:6431310, ZINC:ZINC000015206243
Chemical structure information
SMILES:
CC(=C)[C@@H]1CC[C@@]2(C(=C(CCC2)C(=O)O)C1)CInChI:
InChI=1S/C15H22O2/c1-10(2)11-6-8-15(3)7-4-5-12(14(16)17)13(15)9-11/h11H,1,4-9H2,2-3H3,(H,16,17)/t11-,15-/m1/s1InChIKey:
UPRJMZGSOCQFML-IAQYHMDHSA-NDeepSMILES:
CC=C)[C@@H]CC[C@@]C=CCCC6)))C=O)O)))C6))CFunctional groups:
C=C(C)C, CC(C)=C(C)C(=O)O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1Scaffold Graph/Node level:
C1CCC2CCCCC2C1Scaffold Graph level:
C1CCC2CCCCC2C1
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: Eudesmane sesquiterpenoids
NP-Likeness score: 2.585
Chemical structure download