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(S, S) -Pisatin

CAT: 0804-HY-N3045-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3045-01Size:1 mg
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Description
(S, S) -Pisatin (compound 8) is a dimeric pterocarpan derivative is isolated from the grains of millettia pachyloba[1][2].
CAS Number
20186-22-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/s-s-pisatin.html
Purity
98.66
Solubility
10 mM in DMSO
Smiles
O[C@@](C1=CC(OCO2)=C2C=C1O3)(COC4=C5)[C@]3([H])C4=CC=C5OC
Molecular Formula
C17H14O6
Molecular Weight
314.29
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Mai HD, et al. Cytotoxic prenylated isoflavone and bipterocarpan from Millettia pachyloba. Planta Med. 2010 Oct;76 (15) :1739-42.|[2]Sander C, et al. L-Phenylalanine ammonia-lyase and pisatin induction by 5-bromodeoxyuridine in Pisum sativum. Biochim Biophys Acta. 1979 Jul 26;563 (2) :278-92.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(-)-Pisatin

(−)-pisatin has been reported in Millettia pachyloba with data available.

CAS Number20186-22-5
PubChem CID107880
IUPAC Name(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol
Molecular FormulaC17H14O6
Molecular Weight314.29
XLogP1.7
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
COC1=CC2=C(C=C1)[C@H]3[C@@](CO2)(C4=CC5=C(C=C4O3)OCO5)O
InChI
InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m0/s1
InChIKey
LZMRDTLRSDRUSU-DLBZAZTESA-N
Chemical Structure
2D Structure
2D structure of (-)-Pisatin
CAS: 20186-22-5
CID: 107880
Formula: C17H14O6
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass314.07903816
Monoisotopic Mass314.07903816
Topological Polar Surface Area66.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
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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