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Phaseollin

CAT: 0804-HY-N3087-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3087-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Phaseollin is an isoflavonoid phytoalexin that can be isolated from Phaseolus vulgaris . Phaseollin is toxic to bean hypocotyl and endocarp cells, and causes a complete lysis of sheep erythrocytes[1].
CAS Number
13401-40-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/phaseollin.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
CC1(OC2=CC=C([C@@]3([H])[C@@](C4=CC=C(O)C=C4OC3)([H])O5)C5=C2C=C1)C
Molecular Formula
C20H18O4
Molecular Weight
322.35
References & Citations
[1]Doherty J, Buescher R. Occurrence of the phytoalexin phaseollin in pods of Phaseolus vulgaris. J Sci Food Agric. 1978 Oct;29 (10) :853-6.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(-)-Phaseollin

phaseolin has been reported in Lespedeza cyrtobotrya, Erythrina addisoniae, and other organisms with data available.

CAS Number13401-40-6
PubChem CID91572
IUPAC Name(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
Molecular FormulaC20H18O4
Molecular Weight322.4
XLogP3.6
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity530
SMILES
CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4[C@H]3COC5=C4C=CC(=C5)O)C
InChI
InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
InChIKey
LWTDZKXXJRRKDG-KXBFYZLASA-N
Chemical Structure
2D Structure
2D structure of (-)-Phaseollin
CAS: 13401-40-6
CID: 91572
Formula: C20H18O4
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass322.12050905
Monoisotopic Mass322.12050905
Topological Polar Surface Area47.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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