Violaxanthin

Synonyms: Violaxanthin, "Zeaxanthin diepoxide", "all-trans-Violaxanthin", "trans-Violaxanthin", "(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-diol", "XAT", "(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol", "Zeaxanthin diepoxidl", "all-trans-Violaxanthil"

Source: Violaxanthin is a natural xanthophyll pigment with an orange color found in a variety of plants.

Identifiers:

IUPAC Name: (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CAS Number: 126-29-4
PubChem ID: 448438
InChiKey: SZCBXWMUOPQSOX-WVJDLNGLSA-N
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C

Structural Properties:

Molecular Formula: C₄₀H₅₆O₄
Molecular Weight: 600,900

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 44

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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