Summary

IMPPAT Phytochemical identifier: IMPHY012793

Phytochemical name: 11-Hydroxyrankinidine

Synonymous chemical names:
11-hydroxyrankinidine

External chemical identifiers:
CID:5318332

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Chemical structure information

SMILES:
CON1c2cc(O)ccc2C2(C1=O)CC1NC/C(=CC)/C3CC2OCC13

InChI:
InChI=1S/C20H24N2O4/c1-3-11-9-21-16-8-20(18-7-13(11)14(16)10-26-18)15-5-4-12(23)6-17(15)22(25-2)19(20)24/h3-6,13-14,16,18,21,23H,7-10H2,1-2H3/b11-3+

InChIKey:
FALAMCOLIJTCTR-QDEBKDIKSA-N

DeepSMILES:
CONcccO)ccc6CC9=O))CCNC/C=CC))/CCC9OCC%106

Functional groups:
C/C=C(/C)C, CNC, COC, cN(OC)C(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CNC2CC3(C(=O)Nc4ccccc43)C3CC1C2CO3

Scaffold Graph/Node level:
CC1CNC2CC3(C(O)NC4CCCCC43)C3CC1C2CO3

Scaffold Graph level:
CC1CCC2CC3(C(C)CC4CCCCC43)C3CCC2C1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Gelsemium alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 3.096

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Chemical structure download