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: 31
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
lucidin
ScientificNameLabel
lucidin
PHCD compound ID :
2863
Chemical Names :
lucidin
Molecular Formula :
C15H10O5
Molecular Weight :
270.052823
More Details :
Names & Synonyms:
1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione , 2-(hydroxymethyl)-1,3-bis(oxidanyl)anthracene-9,10-dione , 1,3-dihydroxy-2-methylol-9,10-anthraquinone
Smiles:
OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1
InChi :
InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2
InChi Key :
InChIKey=AMIDUPFSOUCLQB-UHFFFAOYSA-N
PubChem ID :
10163
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
5
Ionization potential :
9.559620
Hydrogen bond donor count :
3
Electric dipole moment :
2.556
XLogP :
0.63
VDW volume :
231.986316
Molecular weight :
270.052823
HOMO-LUMO gap :
7.972000
Herb list :
Madder - Rubia tinctorum - روناس
Refrences & Litretures:
360. Journal:'Int J Adv Biol Biom Res' Year:'2013' Volume:'1' Page:'1315' DOI:'' Title:'Rubia tinctorum L. (Rubiaceae) or Madder as one of the living color to dyeing wool'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us