Summary

IMPPAT Phytochemical identifier: IMPHY011038

Phytochemical name: Tyloindicine A

Synonymous chemical names:
tyloindicine a

External chemical identifiers:
CID:15627984

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Chemical structure information

SMILES:
COc1ccc2c(c1OC)c1c(c3c2CN2CCCC2C3)ccc(c1OC)OC

InChI:
InChI=1S/C24H27NO4/c1-26-19-9-7-15-17-12-14-6-5-11-25(14)13-18(17)16-8-10-20(27-2)24(29-4)22(16)21(15)23(19)28-3/h7-10,14H,5-6,11-13H2,1-4H3

InChIKey:
FAGLRYVRVBPJIP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))cccc6CNCCCC5C9)))))))))cccc6OC)))OC

Functional groups:
CN(C)C, 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: 0.542

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Chemical structure download