| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:32:08 UTC |
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| Updated at | 2020-11-18 16:35:05 UTC |
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| CannabisDB ID | CDB000346 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Xanthophyll |
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| Description | Xanthophyll is an organic compound, also known as Lutein (LOO-teen) is a oxygenated carotenoid found in vegetables and fruits. Xanthophylls (originally phylloxanthins) are yellow pigments that occur widely in nature and form one of two major divisions of the carotenoid group; the other division is formed by the carotenes. The name is from Greek xanthos, and phyllon, due to their formation of the yellow band seen in early chromatography of leaf pigments. Xanthophylls along with Carotene are known as pigments in the cannabis plant. (PMID: 6991645 ) |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3R,3'r,6'r,9'-cis)-b,epsilon-Carotene-3,3'-diol | Generator | | (3R,3'r,6'r,9'-cis)-Β,epsilon-carotene-3,3'-diol | Generator | | Lutein | MeSH | | Lutein g | MeSH | | Lutein, gamma | MeSH | | gamma Lutein | MeSH |
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| Chemical Formula | C40H56O2 |
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| Average Molecular Weight | 568.87 |
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| Monoisotopic Molecular Weight | 568.428 |
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| IUPAC Name | (1R,4S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol |
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| Traditional Name | lutein F |
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| CAS Registry Number | 127-40-2 |
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| SMILES | C\C(\C=C\C=C(/C)\C=C\[C@@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C |
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| InChI Identifier | 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 |
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| InChI Key | KBPHJBAIARWVSC-WTAPCXIZSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Tetraterpenoids |
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| Direct Parent | Xanthophylls |
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| Alternative Parents | |
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| Substituents | - Xanthophyll
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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Not Available | | Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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