Summary

IMPPAT Phytochemical identifier: IMPHY013073

Phytochemical name: Oleoresin tumeric

Synonymous chemical names:
oleoresin

External chemical identifiers:
CID:11979920

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Chemical structure information

SMILES:
O=C(CC(=O)/C=C/c1ccc(cc1)O)/C=C/c1ccc(cc1)O.COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O.COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(cc2)O)ccc1O

InChI:
InChI=1S/C21H20O6.C20H18O5.C19H16O4/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2;1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14;20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h3-12,24-25H,13H2,1-2H3;2-12,21,24H,13H2,1H3;1-12,20-21H,13H2/b7-3+,8-4+;9-4+,10-5+;11-5+,12-6+

InChIKey:
IYXGMLAORQQRHW-LITQUBMNSA-N

DeepSMILES:
O=CCC=O)/C=C/cccccc6))O)))))))))/C=C/cccccc6))O.COccc/C=C/C=O)CC=O)/C=C/cccccc6)OC)))O))))))))))))ccc6O.COccc/C=C/C=O)CC=O)/C=C/cccccc6))O))))))))))))ccc6O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Diarylheptanoids

ClassyFire Subclass: Linear diarylheptanoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Diarylheptanoids

NP Classifier Class: Linear diarylheptanoids

NP-Likeness score: 0.31

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Chemical structure download