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Vulgaxanthin I

CAT: 0804-HY-N12961Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N12961Size:1 Each
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Description
Vulgaxanthin I is a yellow phytochrome isolated from the beautiful Japanese Raphanus japonica flower[1].
CAS Number
904-62-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/vulgaxanthin-i.html
Smiles
O=C(O)C1=C/C(C[C@@H](C(O)=O)N1)=C/C=N/[C@@H](CCC(N)=O)C(O)=O
Molecular Formula
C14H17N3O7
Molecular Weight
339.30
References & Citations
[1]Piattelli M, et al. Pigments of centrospermae—V.: Betaxanthins from Mirabilis jalapa L[J]. Phytochemistry, 1965, 4 (6) : 817-823.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Vulgaxanthin I

Vulgaxanthin-I is a non-proteinogenic alpha-amino acid.

CAS Number904-62-1
PubChem CID135438599
IUPAC Name(2S,4E)-4-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
Molecular FormulaC14H17N3O7
Molecular Weight339.30
XLogP-1.2
Topological Polar Surface Area179
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity636
SMILES
C\1[C@H](NC(=C/C1=C/C=N[C@@H](CCC(=O)N)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,16-4?/t8-,10-/m0/s1
InChIKey
PDBJJFJKNSKTSW-MEWJKSKXSA-N
Chemical Structure
2D Structure
2D structure of Vulgaxanthin I
CAS: 904-62-1
CID: 135438599
Formula: C14H17N3O7
MW: 339.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.30
XLogP3-1.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass339.10664989
Monoisotopic Mass339.10664989
Topological Polar Surface Area179 Ų
Heavy Atom Count24
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TN7839-01Vulgaxanthin I
AR-B06993-01Vulgaxanthin-I

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