Summary

IMPPAT Phytochemical identifier: IMPHY004424

Phytochemical name: Terrestriamide

Synonymous chemical names:
terrestriamide

External chemical identifiers:
CID:5321824, ChEMBL:CHEMBL3792932, ChEBI:138852, ZINC:ZINC000013352576

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Chemical structure information

SMILES:
COc1cc(/C=C/C(=O)NCC(=O)c2ccc(cc2)O)ccc1O

InChI:
InChI=1S/C18H17NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,20-21H,11H2,1H3,(H,19,23)/b9-3+

InChIKey:
QIPDEXHJCVHMKQ-YCRREMRBSA-N

DeepSMILES:
COccc/C=C/C=O)NCC=O)cccccc6))O)))))))))))ccc6O

Functional groups:
c/C=C/C(=O)NC, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)NCC(=O)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)NCC(O)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)CCC(C)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acid amides

NP-Likeness score: 0.268

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Chemical structure download