Summary

IMPPAT Phytochemical identifier: IMPHY012420

Phytochemical name: Bicolorine (Delphinium)

Synonymous chemical names:
delphinium

External chemical identifiers:
CID:181701

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Chemical structure information

SMILES:
CCN1CC2(C)CCC(C34C1C(C(C23)O)C1(O)CC(C2CC4C1C2O)OC)O

InChI:
InChI=1S/C22H35NO5/c1-4-23-9-20(2)6-5-13(24)22-11-7-10-12(28-3)8-21(27,14(11)16(10)25)15(19(22)23)17(26)18(20)22/h10-19,24-27H,4-9H2,1-3H3

InChIKey:
NETPSJUPEOQHLK-UHFFFAOYSA-N

DeepSMILES:
CCNCCC)CCCCC8CCC95)O))CO)CCCCC9C7C5O))))))OC))))))))O

Functional groups:
CN(C)C, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

Scaffold Graph/Node level:
C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

Scaffold Graph level:
C1CC2CCC3C4CC2C3(C1)C1CC2CCC4C1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Terpenoid alkaloids

NP-Likeness score: 3.536

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Chemical structure download