IMPPAT Phytochemical information:
Delnudine
Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID008410
Phytochemical name: Delnudine
Synonymous chemical names:delnudine
External chemical identifiers:CID:CID_177633829
Chemical structure information
SMILES:
O[C@H]1C[C@@]2(C)CN3[C@H]4[C@@]5(C1)[C@@H]2[C@]3(O)C[C@@]12[C@H]5[C@H](CC(=O)[C@H]41)C(=C)C2InChI:
InChI=1S/C20H25NO3/c1-9-4-18-7-20(24)16-17(2)5-10(22)6-19(16)14(18)11(9)3-12(23)13(18)15(19)21(20)8-17/h10-11,13-16,22,24H,1,3-8H2,2H3/t10-,11+,13+,14+,15+,16+,17-,18+,19-,20+/m0/s1InChIKey:
WOTTUVWPEYDWKI-IZVRXGLKSA-NDeepSMILES:
O[C@H]C[C@@]C)CN[C@H][C@@]C8)[C@@H]6[C@]5O)C[C@@][C@H]6[C@H]CC=O)[C@H]%116)))C=C)C5Functional groups:
CO, CN(C)[C@@](O)(C)C, CC(=O)C, C=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CC23CC4C5C6CCCC57C(C2C(=O)CC1C37)N4C6Scaffold Graph/Node level:
CC1CC23CC4C5C6CCCC57C(C2C(O)CC1C37)N4C6Scaffold Graph level:
CC1CC23CC4C5CC6CCCC7(C64)C5C2C(C)CC1C37
Chemical classification
NP Classifier Biosynthetic pathway: Alkaloids, TerpenoidsNP Classifier Superclass: PseudoalkaloidsNP Classifier Class: Terpenoid alkaloidsNP-Likeness score: 3.265
Chemical structure download
