Summary

IMPPAT Phytochemical identifier: IMPHY011772

Phytochemical name: cis-Zeaxanthin

Synonymous chemical names:
13-cis-zeaxanthin, 15-cis-zeaxanthin

External chemical identifiers:
CID:102008443

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Chemical structure information

SMILES:
O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=CC=C/C(=CC=C/C=C(C=C/C=C(C=C/C1=C(C)C[C@H](CC1(C)C)O)/C)/C)/C)/C)C

InChI:
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11-,17-13-,18-14-,23-21-,24-22+,29-15-,30-16-,31-19-,32-20-/t35-,36-/m1/s1

InChIKey:
JKQXZKUSFCKOGQ-XDWPESMJSA-N

DeepSMILES:
O[C@@H]CC=CCC6)C)C))/C=C/C=CC=C/C=CC=C/C=CC=C/C=CC=C/C=CC)C[C@H]CC6C)C)))O)))))))/C)))))/C))))))/C)))))/C)))))C

Functional groups:
CC(C)=C(C)/C=CC(C)=C/C=CC(C)=C/C=CC=C(C)/C=CC=C(C)/C=C/C(C)=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=CC=CC=CC=CC=CC1=CCCCC1)C=CC=CC=CC=CC1=CCCCC1

Scaffold Graph/Node level:
C(CCCCCCCCCC1CCCCC1)CCCCCCCCC1CCCCC1

Scaffold Graph level:
C(CCCCCCCCCC1CCCCC1)CCCCCCCCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Tetraterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Carotenoids (C40)

NP Classifier Class: Carotenoids (C40, β-β)

NP-Likeness score: 1.3

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Chemical structure download