Structure Database (LMSD)
Common Name
Chamaeflavone A
Systematic Name
Synonyms
Main
Classification
Category
Main Class
Sub Class
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
References
Reference
Isolation, structure determination, and anti-HIV evaluation of tigliane-type diterpenes and biflavonoid from Stellera chamaejasme.
J Nat Prod, 2013
10.1021/np300815t
23611151
J Nat Prod, 2013
10.1021/np300815t
23611151
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
J Nat Prod, 2013
Pubmed ID:
23611151
DOI:
10.1021/np300815t
Other Databases
PubChem CID
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
Admin
Created at
12th Nov 2020
Updated at
12th Nov 2020