Summary

IMPPAT Phytochemical identifier: IMPHY009055

Phytochemical name: Tyloindicine D

Synonymous chemical names:
tyloindicine d

External chemical identifiers:
CID:101833782

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Chemical structure information

SMILES:
COC1CCC2N1Cc1c(C2)c2ccc(c(c2c2c1ccc(c2O)OC)OC)OC

InChI:
InChI=1S/C24H27NO5/c1-27-18-8-6-15-17-12-25-13(5-10-20(25)29-3)11-16(17)14-7-9-19(28-2)24(30-4)22(14)21(15)23(18)26/h6-9,13,20,26H,5,10-12H2,1-4H3

InChIKey:
IWZVSWZVXKAZJF-UHFFFAOYSA-N

DeepSMILES:
COCCCCN5CccC6)cccccc6cc%10cccc6O))OC))))))))OC)))OC

Functional groups:
COC(C)N(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)c1c(c3ccccc32)CN2CCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21

Scaffold Graph level:
C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Phenanthroindolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.02

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Chemical structure download