Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016807

Phytochemical name: (6r,8Ar)-6-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,5,6-tetrahydroindolizin-8a(1h)-ol

Synonymous chemical names:
Tyloindicine F, tyloindicine f

External chemical identifiers:
CID:CID_373658, ChEMBL:CHEMBL1976561, SureChEMBL:SCHEMBL8977419

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Chemical structure information

SMILES:
COc1ccc(cc1)C1=C[C@]2(O)CCCN2C[C@@H]1c1ccc(c(c1)OC)OC

InChI:
InChI=1S/C23H27NO4/c1-26-18-8-5-16(6-9-18)19-14-23(25)11-4-12-24(23)15-20(19)17-7-10-21(27-2)22(13-17)28-3/h5-10,13-14,20,25H,4,11-12,15H2,1-3H3/t20-,23-/m1/s1

InChIKey:
WHTUBPJAGYKOQP-NFBKMPQASA-N

DeepSMILES:
COcccccc6))C=C[C@]O)CCCN5C[C@@H]9cccccc6)OC)))OC

Functional groups:
cOC, cC1=C[C@](O)(C)N(C)CC1

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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: 0.91

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Chemical structure download