LUT

(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL

Created:	2003-12-22
Last modified:	2020-05-27

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80 entries where LUT is found as a standalone ligand3 entries where LUT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	98
Chiral Atom Count	3
Bond Count	99
Aromatic Bond Count	0

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Chemical Component Summary
Name	(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
Synonyms	(3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL; LUTEIN
Systematic Name (OpenEye OEToolkits)	(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
Formula	C₄₀ H₅₆ O₂
Molecular Weight	568.871
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC2CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1C(=CC(O)CC1(C)C)C)C)C)C)C)C(C)(C)C2)C
SMILES	CACTVS	3.341	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C
SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
Canonical SMILES	CACTVS	3.341	CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)\C=C\C=C(C)\C=C\[C@H]2C(=C[C@H](O)CC2(C)C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)C)\C)\C
InChI	InChI	1.03	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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/m0/s1
InChIKey	InChI	1.03	KBPHJBAIARWVSC-NSIPBSJQSA-N

Drug Info: DrugBank

DrugBank ID	DB00137
Name	Lutein
Groups	approved investigational nutraceutical
Description	Lutein is an xanthophyll and one of 600 known naturally occurring carotenoids. Lutein is synthesized only by plants and like other xanthophylls is found in high quantities in green leafy vegetables such as spinach, kale and yellow carrots. In green plants, xanthophylls act to modulate light energy and serve as non-photochemical quenching agents to deal with triplet chlorophyll (an excited form of chlorophyll), which is overproduced at very high light levels, during photosynthesis.
Synonyms	Xanthophyll Xantofyl Lutein
Brand Names	Macuvex Strovite One Caplets RE FAC-x Vista Advanced AREDS2 Formula Doctor Super Lutein Corvite Ocuvel Corvite Free Corvita Noon for Kids Macuzin Tozal Furryden Dental Easy Green
Indication	Xanthophylls are taken for nutritional supplementation, and also for treating dietary shortage or imbalance.
Categories	Alkenes Biological Factors Carotenoids Cyclohexanes Cyclohexenes Cycloparaffins Dietary Supplements Hydrocarbons, Acyclic Pigments, Biological Polyenes Supplements Terpenes Xanthophylls
CAS number	127-40-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682