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: 25
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Cedr-8(15)-en-9-alpha-ol
ScientificNameLabel
Cedr-8(15)-en-9-alpha-ol
PHCD compound ID :
964
Chemical Names :
Cedr-8(15)-en-9-alpha-ol
Molecular Formula :
C15H24O1
Molecular Weight :
220.182715
More Details :
Names & Synonyms:
Smiles:
O[C@H]1C[C@@]23C[C@H](C1=C)C([C@H]3CC[C@@H]2C)(C)C
InChi :
InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11+,12-,13+,15-/m0/s1
InChi Key :
InChIKey=DJYWGTBEZVORGE-IYBIKKAESA-N
PubChem ID :
6428415
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.831801
Hydrogen bond donor count :
1
Electric dipole moment :
2.250
XLogP :
4.612
VDW volume :
237.08062
Molecular weight :
220.182715
HOMO-LUMO gap :
10.789000
Herb list :
Saatar, Zataria - Zataria multiflora - آویشن شیرازی، ازکند
Refrences & Litretures:
85. Journal:'Food and Chemical Toxicology' Year:'2010' Volume:'48' Page:'1562' DOI:'10.1016/j.fct.2010.03.025' Title:'Chemical composition of essential oils in Zataria multi?ora Boiss. From different parts of Iran and their radical scavenging and antimicrobial activity'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us