Summary

IMPPAT Phytochemical identifier: IMPHY002308

Phytochemical name: Pluviine

Synonymous chemical names:
pluviine

External chemical identifiers:
CID:101289753

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)CN1[C@H]3[C@H]2[C@H](O)CC=C3CC1

InChI:
InChI=1S/C17H21NO3/c1-20-14-7-11-9-18-6-5-10-3-4-13(19)16(17(10)18)12(11)8-15(14)21-2/h3,7-8,13,16-17,19H,4-6,9H2,1-2H3/t13-,16-,17-/m1/s1

InChIKey:
PPXDSINXGXMGAE-KBRIMQKVSA-N

DeepSMILES:
COcccccc6OC))))CN[C@H][C@H]6[C@H]O)CC=C6CC9

Functional groups:
CC=C(C)C, CN(C)C, CO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3Cc4ccccc4C(CC1)C23

Scaffold Graph/Node level:
C1CCC2C(C1)CN1CCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Indolizidine alkaloids

NP-Likeness score: 2.086

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Chemical structure download