Summary
IMPPAT Phytochemical identifier: IMPHY017828
Phytochemical name: Cryptofauronyl acetate
Synonymous chemical names:cryptofauronyl acetate
External chemical identifiers:CID:91747306
Chemical structure information
SMILES:
CC(=O)O[C@@H]1CCC2(C3C1O[C@H](C2)[C@H](C3)C(C)C)CInChI:
InChI=1S/C16H26O3/c1-9(2)11-7-12-15-13(18-10(3)17)5-6-16(12,4)8-14(11)19-15/h9,11-15H,5-8H2,1-4H3/t11-,12?,13-,14-,15?,16?/m1/s1InChIKey:
IHEPBMIPFUVAAE-MIROHHEDSA-NDeepSMILES:
CC=O)O[C@@H]CCCCC6O[C@H]C6)[C@H]C6)CC)C)))))))CFunctional groups:
CC(=O)OC, COC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC2CC3CCC2C(C1)O3Scaffold Graph/Node level:
C1CC2CC3CCC2C(C1)O3Scaffold Graph level:
C1CC2CC3CCC2C(C1)C3
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Oxanes
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Eudesmane sesquiterpenoids
NP-Likeness score: 2.481
Chemical structure download
