Summary

IMPPAT Phytochemical identifier: IMPHY008895

Phytochemical name: Luteochrome

Synonymous chemical names:
luteochrome (5,6_5',6'-tetrahydro-β,β-carotene)

External chemical identifiers:
CID:101687866

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Chemical structure information

SMILES:
C/C(=CC=CC=C(C=CC=C(/C1C=C2C(O1)(C)CCCC2(C)C)C)/C)/C=C/C=C(/C=C/C12OC2(C)CCCC1(C)C)C

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

InChIKey:
HSOIPJLINDKQOV-USSGTKPGSA-N

DeepSMILES:
C/C=CC=CC=CC=CC=C/CC=CCO5)C)CCCC6C)C)))))))))C)))))/C))))))/C=C/C=C/C=C/COC3C)CCCC7C)C))))))))))C

Functional groups:
C/C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1(C)OC1(C)C, CC=C(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(C=CC=CC=CC=CC12CCCCC1O2)=CC=CC=CC=CC1C=C2CCCCC2O1

Scaffold Graph/Node level:
C(CCCCCCCCC12CCCCC1O2)CCCCCCCC1CC2CCCCC2O1

Scaffold Graph level:
C(CCCCCCCCC12CCCCC1C2)CCCCCCCC1CC2CCCCC2C1

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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: 2.319

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Chemical structure download