Summary

IMPPAT Phytochemical identifier: IMPHY000328

Phytochemical name: Dihydroisoconessimine

Synonymous chemical names:
dihydroisoconessimine

External chemical identifiers:
CID:102093821

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Chemical structure information

SMILES:
CN[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]23[C@H]1CC[C@@H]3[C@@H](N(C2)C)C)C

InChI:
InChI=1S/C23H40N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h15-21,24H,5-14H2,1-4H3/t15-,16-,17-,18+,19+,20-,21-,22-,23-/m0/s1

InChIKey:
ROMMFYOMFNJWDB-JHITXLNUSA-N

DeepSMILES:
CN[C@H]CC[C@][C@H]C6)CC[C@@H][C@@H]6CC[C@@][C@H]6CC[C@@H]5[C@@H]NC8)C))C))))))))))))))C

Functional groups:
CN(C)C, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C2CCC23CNCC2CCC13

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC23CNCC2CCC13

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC23CCCC2CCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Steroidal alkaloids

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Steroidal alkaloids

NP-Likeness score: 2.535

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Chemical structure download