Summary
SMILES: C=C1[C@@H](O)C[C@@H]2[C@]([C@H]1C/C=C/1CCOC1=O)(C)CCCC2(C)CInChI: InChI=1S/C20H30O3/c1-13-15(7-6-14-8-11-23-18(14)22)20(4)10-5-9-19(2,3)17(20)12-16(13)21/h6,15-17,21H,1,5,7-12H2,2-4H3/b14-6+/t15-,16-,17-,20+/m0/s1InChIKey: NTDYMFJJFRUEDG-LAABLSLUSA-N
DeepSMILES: C=C[C@@H]O)C[C@@H][C@][C@H]6C/C=CCCOC5=O)))))))))C)CCCC6C)C
Scaffold Graph/Node/Bond level: C=C1CCC2CCCCC2C1CC=C1CCOC1=O
Scaffold Graph/Node level: CC1CCC2CCCCC2C1CCC1CCOC1O
Scaffold Graph level: CC1CCCC1CCC1C(C)CCC2CCCCC21
Functional groups: C/C=C1CCOC1=O; C=C(C)C; CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Lactones
ClassyFire Subclass: Gamma butyrolactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Labdane diterpenoids|Norlabdane diterpenoids
Synonymous chemical names:hedychilactone a
External chemical identifiers:CID:10041596; ChEMBL:CHEMBL205885; ZINC:ZINC000014486426
Chemical structure download