Structure Database (LMSD)

Common Name
Chamaeflavone A
Systematic Name
Synonyms
LM ID
LMPK12040011
Formula
C32H26O10
Exact Mass
Calculate m/z
570.1526
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Biflavonoids and polyflavonoids [PK1204]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Stellera chamaejasme (#142738)
Magnoliopsida (#3398)
Isolation, structure determination, and anti-HIV evaluation of tigliane-type diterpenes and biflavonoid from Stellera chamaejasme.,
J Nat Prod, 2013
Pubmed ID: 23611151

String Representations

InChiKey (Click to copy)
BFPJOJFVZXWMSM-CKROWEISSA-N
InChi (Click to copy)
InChI=1S/C32H26O10/c1-39-19-9-5-16(6-10-19)32-28(30(38)26-22(36)13-20(40-2)14-24(26)42-32)27-29(37)25-21(35)11-18(34)12-23(25)41-31(27)15-3-7-17(33)8-4-15/h3-14,27-28,31-36H,1-2H3/t27-,28-,31+,32+/m1/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@@H](C3=CC=C(OC)C=C3)[C@]([H])([C@@]3([H])[C@H](C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(=O)C2=C(O)C=1

Other Databases

PubChem CID
71712662

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 6
Aromatic Rings 4
Rotatable Bonds 5
Van der Waals Molecular Volume 495.34
Topological Polar Surface Area 156.12
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 5.09
Molar Refractivity 147.91

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Created at
12th Nov 2020
Updated at
12th Nov 2020