Summary

IMPPAT Phytochemical identifier: IMPHY003322

Phytochemical name: Launobine

Synonymous chemical names:
(+)-launobine, launobine

External chemical identifiers:
CID:177134, ChEMBL:CHEMBL516862, ChEBI:174971, ZINC:ZINC000006018921

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Chemical structure information

SMILES:
COc1ccc2c(-c3c4[C@H](C2)NCCc4cc2c3OCO2)c1O

InChI:
InChI=1S/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1

InChIKey:
JIFBCUOVFPCZEW-NSHDSACASA-N

DeepSMILES:
COccccc-cc[C@H]C6)NCCc6ccc%10OCO5)))))))))))))c6O

Functional groups:
CNC, c1cOCO1, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.993

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Chemical structure download