Structure Database (LMSD)

OH HO O O HO HO OH O O O OH OH OH OH HO HO O O
Common Name
Implexaflavone
Systematic Name
luteolin 7-O-β-d-glucopyranosyl(1-6)-[(4‘‘‘-O-caffeoyl)-β-d-glucopyranoside
Synonyms
LM ID
LMPK12113407
Formula
C38H40O18
Exact Mass
Calculate m/z
784.22147
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
GHGPEYHIJGZMEM-DWQSOOKNSA-N
InChi (Click to copy)
InChI=1S/C38H40O18/c1-16(3-2-4-17-5-7-20(40)22(42)9-17)52-36-28(14-39)55-37(35(50)33(36)48)51-15-29-31(46)32(47)34(49)38(56-29)53-19-11-24(44)30-25(45)13-26(54-27(30)12-19)18-6-8-21(41)23(43)10-18/h2-3,5-13,28-29,31-44,46-50H,1,4,14-15H2/b3-2+/t28-,29-,31-,32+,33-,34-,35-,36-,37-,38-/m1/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](OC(=C)/C=C/CC5=CC(O)=C(O)C=C5)[C@@H](CO)O4)O3)=CC=2O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lonicera implexa (#566143)
Magnoliopsida (#3398)
Three New Flavonoids and Other Constituents from Lonicera implexa,
J Nat Prod, 1997

Other Databases

PubChem CID
171120371

Calculated Physicochemical Properties

Heavy Atoms 56
Rings 6
Aromatic Rings 4
Rotatable Bonds 12
Van der Waals Molecular Volume 672.10
Topological Polar Surface Area 303.03
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 18
logP 4.66
Molar Refractivity 196.77

Admin

Created at
7th Jan 2022
Updated at
7th Jan 2022