Summary

IMPPAT Phytochemical identifier: IMPHY009071

Phytochemical name: Oliveramine

Synonymous chemical names:
oliveramine

External chemical identifiers:
CID:71437678

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Chemical structure information

SMILES:
O=C1OCCc2c1cncc2CCC(c1cncc2c1CCOC2=O)C

InChI:
InChI=1S/C20H20N2O4/c1-12(16-9-22-11-18-15(16)5-7-26-20(18)24)2-3-13-8-21-10-17-14(13)4-6-25-19(17)23/h8-12H,2-7H2,1H3

InChIKey:
QMWNJTAFPCJRKK-UHFFFAOYSA-N

DeepSMILES:
O=COCCcc6cncc6CCCccnccc6CCOC6=O)))))))))))C

Functional groups:
cC(=O)OC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCc2c(CCCc3cncc4c3CCOC4=O)cncc21

Scaffold Graph/Node level:
OC1OCCC2C(CCCC3CNCC4C(O)OCCC34)CNCC12

Scaffold Graph level:
CC1CCCC2C(CCCC3CCCC4C(C)CCCC34)CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyranopyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 0.662

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Chemical structure download