Structure Database (LMSD)
Common Name
Puddumin A
Systematic Name
7-O-(β-D-glucopyranosyl)-5-O-methyl naringenin
Synonyms
3D model of Puddumin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Prunus cerasoides
(#378224)
Magnoliopsida
(#3398)
PUDDUMIN-A, A NEW FLAVANONE GLUCOSIDE FROM PRUNUS CERASOIDES,
J Nat Prod, 1987
J Nat Prod, 1987
DOI:
10.1021/np50050a020
String Representations
InChiKey (Click to copy)
YKLXLXHFKNDXOH-WVJHHYEUSA-N
InChi (Click to copy)
InChI=1S/C22H24O10/c1-29-15-6-12(30-22-21(28)20(27)19(26)17(9-23)32-22)7-16-18(15)13(25)8-14(31-16)10-2-4-11(24)5-3-10/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14?,17-,19-,20+,21-,22-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(OC)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
387.34
Topological Polar Surface Area
159.28
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
2.00
Molar Refractivity
110.86
Admin
Created at
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Updated at
13th Apr 2021