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Phaseoloidin

CAT: 0931-T5777-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T5777-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118555-82-1
Target
Others, Complement System
Related Pathways
Immunology/Inflammation, Others
Purity
0.9932
Bioactivity
Phaseoloidin, a homogentisic acid glucoside from Nicotiana attenuata trichomes, contributes to the plant's resistance against lepidopteran herbivores.
Smiles
OC[C@H]1O[C@@H](Oc2ccc(O)cc2CC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C14H18O9
Molecular Weight
330.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phaseoloidin

Phaseoloidin has been reported in Entada pursaetha, Entada phaseoloides, and Entada rheedei with data available.

CAS Number118555-82-1
PubChem CID14104237
IUPAC Name2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
Molecular FormulaC14H18O9
Molecular Weight330.29
XLogP-1.2
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity404
SMILES
C1=CC(=C(C=C1O)CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1
InChIKey
MVFYXXNAFZRZAM-RGCYKPLRSA-N
Chemical Structure
2D Structure
2D structure of Phaseoloidin
CAS: 118555-82-1
CID: 14104237
Formula: C14H18O9
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP3-1.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass330.09508215
Monoisotopic Mass330.09508215
Topological Polar Surface Area157 Ų
Heavy Atom Count23
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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