Summary
SMILES: C=C[C@]1(C)CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@]2(C)CCC(=O)[C@@]4(C(=O)O3)C)C1InChI: InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1InChIKey: MPHXYQVSOFGNEN-JGHPTVLTSA-N
DeepSMILES: C=C[C@]C)CC[C@@H]C=C[C@@H][C@@H][C@]6C)CCC=O)[C@@]6C=O)O9))C)))))))))C6
Scaffold Graph/Node/Bond level: O=C1CCC2C3CCCCC3=CC3OC(=O)C1C32
Scaffold Graph/Node level: OC1CCC2C3CCCCC3CC3OC(O)C1C32
Scaffold Graph level: CC1CCC2C3CCCCC3CC3CC(C)C1C32
Functional groups: C=CC; CC(C)=CC; CC(C)=O; COC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Pimarane and Isopimarane diterpenoids
Synonymous chemical names:momilactone a
External chemical identifiers:CID:162644; ChEMBL:CHEMBL2271029; ChEBI:49191; SureChEMBL:SCHEMBL2808327
Chemical structure download