Summary
SMILES: OCC1=C2C(=C[C@@H]3[C@]4([C@@H]2O4)CC[C@H]2[C@@]3(C)CCCC2(C)C)OC1=OInChI: InChI=1S/C20H26O4/c1-18(2)6-4-7-19(3)13(18)5-8-20-14(19)9-12-15(16(20)24-20)11(10-21)17(22)23-12/h9,13-14,16,21H,4-8,10H2,1-3H3/t13-,14+,16-,19-,20+/m1/s1InChIKey: DIJWCRKTZVUBDY-PHJMNMFVSA-N
DeepSMILES: OCC=CC=C[C@@H][C@][C@@H]6O3))CC[C@H][C@@]6C)CCCC6C)C))))))))))))OC5=O
Scaffold Graph/Node/Bond level: O=C1C=C2C(=CC3C4CCCCC4CCC34OC24)O1
Scaffold Graph/Node level: OC1CC2C(CC3C4CCCCC4CCC34OC24)O1
Scaffold Graph level: CC1CC2CC3C4CCCCC4CCC34CC4C2C1
Functional groups: CC1=C2C(=CC[C@]3(C)O[C@H]23)OC1=O; CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Naphthofurans
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Furanoabietane diterpenoids
Synonymous chemical names:caudicifolin
External chemical identifiers:CID:6712606; ChEMBL:CHEMBL1988221; ChEBI:69826; ZINC:ZINC000006002353
Chemical structure download