Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017332

Phytochemical name: Zerumbone epoxide

Synonymous chemical names:
zerumbone oxide, Zerumbone oxide

External chemical identifiers:
CID:CID_5463724

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Chemical structure information

SMILES:
O=C1/C=C/C(C)(C)CC2C(CC/C=C\1/C)(O2)C

InChI:
InChI=1S/C15H22O2/c1-11-6-5-8-15(4)13(17-15)10-14(2,3)9-7-12(11)16/h6-7,9,13H,5,8,10H2,1-4H3/b9-7+,11-6-

InChIKey:
UXYYOHOTPOQJPD-MHLOZHTBSA-N

DeepSMILES:
O=C/C=C/CC)C)CCCCC/C=C\%11/C)))))O3)C

Functional groups:
C/C=C(/C)C(=O)/C=C/C, CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC2OC2CCC=C1

Scaffold Graph/Node level:
OC1CCCCC2OC2CCCC1

Scaffold Graph level:
CC1CCCCC2CC2CCCC1

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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: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Humulane sesquiterpenoids

NP-Likeness score: 3.145

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Chemical structure download