Summary

IMPPAT Phytochemical identifier: IMPHY008926

Phytochemical name: Zeylanicine

Synonymous chemical names:
zeylanicine

External chemical identifiers:
CID:133562504

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Chemical structure information

SMILES:
CC(=O)OC1c2occ(c2C2OC(=O)C(=C2)CCC2[C@]1(C)O2)C

InChI:
InChI=1S/C17H18O6/c1-8-7-20-14-13(8)11-6-10(16(19)22-11)4-5-12-17(3,23-12)15(14)21-9(2)18/h6-7,11-12,15H,4-5H2,1-3H3/t11?,12?,15?,17-/m0/s1

InChIKey:
YLGLAOLTWCNDOX-ZRXXRODJSA-N

DeepSMILES:
CC=O)OCcoccc5COC=O)C=C5)CCC[C@]%14C)O3))))))))))C

Functional groups:
CC1=CCOC1=O, CC1O[C@@]1(C)C, COC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2C=C1CCC1OC1Cc1occc12

Scaffold Graph/Node level:
OC1OC2CC1CCC1OC1CC1OCCC12

Scaffold Graph level:
CC1CC2CC1CCC1CC1CC1CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.015

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Chemical structure download