Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 33
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Hinokiflavone
ScientificNameLabel
Hinokiflavone
PHCD compound ID :
3253
Chemical Names :
Hinokiflavone
Molecular Formula :
C30H18O10
Molecular Weight :
538.089997
More Details :
Names & Synonyms:
6-[4-(5,7-dihydroxy-4-oxo-chromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one , 6-[4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one , 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one , 6-[4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenoxy]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one , 6-[4-(5,7-dihydroxy-4-keto-chromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone
Smiles:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O)O
InChi :
InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H
InChi Key :
InChIKey=WTDHMFBJQJSTMH-UHFFFAOYSA-N
PubChem ID :
5281627
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
10
Ionization potential :
9.310150
Hydrogen bond donor count :
5
Electric dipole moment :
8.114
XLogP :
2.466
VDW volume :
455.416173
Molecular weight :
538.089997
HOMO-LUMO gap :
8.022000
Herb list :
Sumac - Rhus coriaria - سماق
Refrences & Litretures:
443. Journal:'Food Chemistry' Year:'2015' Volume:'166' Page:'179' DOI:'10.1016/j.foodchem.2014.06.011' Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us