Structure Database (LMSD)

Common Name
Cannflavin A
Systematic Name
Synonyms
LM ID
LMPK12110794
Formula
C26H28O6
Exact Mass
Calculate m/z
436.188591
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

Biological Context

Cannflavin A is an analytical reference standard categorized as a flavonoid.1,2 Cannflavin A has been found in strains of Cannabis and hemp. This product is intended for research and forensic applications.

This information has been provided by Cayman Chemical

References

1. Barrett, M.L., Scutt, A.M., and Evans, F.J. Cannflavin A and B, prenylated flavones from Cannabis sativa L. Experientia 42(4), 452-453 (1986).
2. Werz, O., Seegers, J., Schaible, A.M., et al. Cannflavins from hemp sprouts, a novel cannabinoid-free hemp food product, target microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase. Pharmanutrition 2(3), 53-60 (2014).

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
MWGFICMOCSIQMV-LZYBPNLTSA-N
InChi (Click to copy)
InChI=1S/C26H28O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-14,27-28,30H,5,7,10H2,1-4H3/b16-8+
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1C/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
185375
METABOLOMICS ID
FL3FADNI0001
PubChem CID
10071695
Cayman ID
21970

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 414.92
Topological Polar Surface Area 100.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.72
Molar Refractivity 125.70

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Updated at
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