IMPPAT Phytochemical information:
Cyclamigenin D
Summary
IMPPAT Phytochemical identifier: IMPHY009926
Phytochemical name: Cyclamigenin D
Synonymous chemical names:pridentigenin a
External chemical identifiers:CID:177130
Chemical structure information
SMILES:
COC([C@@]1(C)CC[C@]23[C@@H](C1)[C@]1(CC[C@H]4[C@@]([C@@]1(CC3=O)C)(C)CC[C@@H]1[C@]4(C)CC[C@@H](C1(C)C)O)OC2)OCInChI:
InChI=1S/C32H52O5/c1-26(2)20-9-13-29(5)21(28(20,4)12-11-23(26)33)10-14-32-22-17-27(3,25(35-7)36-8)15-16-31(22,19-37-32)24(34)18-30(29,32)6/h20-23,25,33H,9-19H2,1-8H3/t20-,21+,22+,23-,27-,28-,29+,30-,31+,32-/m0/s1InChIKey:
VJTHGWPCJWOKLN-WIFRURKKSA-NDeepSMILES:
COC[C@@]C)CC[C@@][C@@H]C6)[C@]CC[C@H][C@@][C@@]6CC%10=O)))C))C)CC[C@@H][C@]6C)CC[C@@H]C6C)C))O))))))))))))OC5))))))))OCFunctional groups:
CC(C)=O, CO, COC, COC(C)OC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CC2C3CCC4CCCCC4C3CCC23OCC12CCCCC23Scaffold Graph/Node level:
OC1CC2C3CCC4CCCCC4C3CCC23OCC12CCCCC23Scaffold Graph level:
CC1CC2C3CCC4CCCCC4C3CCC23CCC12CCCCC23
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Triterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Oleanane triterpenoids
NP-Likeness score: 2.687
Chemical structure download