Summary

IMPPAT Phytochemical identifier: IMPHY009101

Phytochemical name: 5-[(8As)-6-(3,4-dimethoxyphenyl)-1,2,3,8a-tetrahydroindolizin-7-yl]-2,3-dimethoxyphenol

Synonymous chemical names:
tyloindicine i

External chemical identifiers:
CID:373661, ChEMBL:CHEMBL1970704

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Chemical structure information

SMILES:
COc1ccc(cc1OC)C1=CN2CCC[C@H]2C=C1c1cc(O)c(c(c1)OC)OC

InChI:
InChI=1S/C24H27NO5/c1-27-21-8-7-15(11-22(21)28-2)19-14-25-9-5-6-17(25)13-18(19)16-10-20(26)24(30-4)23(12-16)29-3/h7-8,10-14,17,26H,5-6,9H2,1-4H3/t17-/m0/s1

InChIKey:
ZFICSRNQVIMLDY-KRWDZBQOSA-N

DeepSMILES:
COcccccc6OC))))C=CNCCC[C@H]5C=C9cccO)ccc6)OC)))OC

Functional groups:
cC1=CCN(C)C=C1c, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C(c2ccccc2)C(c2ccccc2)=CN2CCCC12

Scaffold Graph/Node level:
C1CCC(C2CC3CCCN3CC2C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCC3CC2C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 1.092

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Chemical structure download