Summary

IMPPAT Phytochemical identifier: IMPHY007504

Phytochemical name: Lanceomigine

Synonymous chemical names:
lanceomigine

External chemical identifiers:
CID:101712482

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Chemical structure information

SMILES:
COC(=O)[C@@]12[C@H]3C[C@H]4[C@@]5([C@@]2(CCN4C/C/3=CC)c2c(N([C@H]1O5)C)cccc2)O

InChI:
InChI=1S/C22H26N2O4/c1-4-13-12-24-10-9-20-14-7-5-6-8-16(14)23(2)18-21(20,19(25)27-3)15(13)11-17(24)22(20,26)28-18/h4-8,15,17-18,26H,9-12H2,1-3H3/b13-4+/t15-,17-,18-,20-,21+,22+/m0/s1

InChIKey:
YWHJXIKKMXPHRE-OWRVXNJMSA-N

DeepSMILES:
COC=O)[C@][C@H]C[C@H][C@@][C@@]6CCN6C/C/%10=CC)))))))ccN[C@H]%10O7))C))cccc6)))))))O

Functional groups:
C/C=C(C)C, CN(C)C, COC(C)=O, cN(C)[C@@H]1CC[C@](C)(O)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC34c5ccccc5NC5OC3C2CC1C54

Scaffold Graph/Node level:
CC1CN2CCC34C5CCCCC5NC5OC3C2CC1C54

Scaffold Graph level:
CC1CC2CCC34C5CCCCC5CC5CC3C2CC1C54

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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: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 2.432

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Chemical structure download