Summary
IMPPAT Phytochemical identifier: IMPHY003271
Phytochemical name: Malabarolide
Synonymous chemical names:malabarolide
External chemical identifiers:CID:362487
Chemical structure information
SMILES:
O[C@@H]1C[C@H](O)C2[C@H]([C@@H]1O)C1(C)C[C@@H](OC(=O)C1(CC2)O)c1cocc1InChI:
InChI=1S/C18H24O7/c1-17-7-13(9-3-5-24-8-9)25-16(22)18(17,23)4-2-10-11(19)6-12(20)15(21)14(10)17/h3,5,8,10-15,19-21,23H,2,4,6-7H2,1H3/t10?,11-,12+,13+,14+,15+,17?,18?/m0/s1InChIKey:
ZINGMSLHDAUDDW-YVHDXGIRSA-NDeepSMILES:
O[C@@H]C[C@H]O)C[C@H][C@@H]6O))CC)C[C@@H]OC=O)C6CC%10))O))))ccocc5Functional groups:
CC(=O)OC, CO, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1OC(c2ccoc2)CC2C1CCC1CCCCC12Scaffold Graph/Node level:
OC1OC(C2CCOC2)CC2C3CCCCC3CCC12Scaffold Graph level:
CC1CC(C2CCCC2)CC2C1CCC1CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Naphthopyrans
ClassyFire Subclass: Naphthopyranones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Colensane and Clerodane diterpenoids
NP-Likeness score: 2.969
Chemical structure download
