Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017280

Phytochemical name: Curcumalactone

Synonymous chemical names:
curcumalactone

External chemical identifiers:
CID:CID_15071433, ZINC:ZINC000169644567

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Chemical structure information

SMILES:
CC([C@@H]1C[C@@]2(OC1=O)[C@@H](C)CC[C@H]2C(=C)C)C

InChI:
InChI=1S/C15H24O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12-,13-,15+/m0/s1

InChIKey:
JBUPYYZICGGNGI-PWNZVWSESA-N

DeepSMILES:
CC[C@@H]C[C@@]OC5=O)))[C@@H]C)CC[C@H]5C=C)C)))))))))C

Functional groups:
COC(=O)C, C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(CCCC2)O1

Scaffold Graph/Node level:
OC1CCC2(CCCC2)O1

Scaffold Graph level:
CC1CCC2(CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 2.523

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Chemical structure download