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: 36
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
(Z)-sabinol
ScientificNameLabel
(Z)-sabinol
PHCD compound ID :
2934
Chemical Names :
(Z)-sabinol
Molecular Formula :
C10H16O1
Molecular Weight :
152.120115
More Details :
Names & Synonyms:
(1R,3R,5R)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexan-3-ol , (1R,3R,5R)-4-methylene-1-propan-2-yl-3-bicyclo[3.1.0]hexanol , (1R,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol , (1R,3R,5R)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexan-3-ol
Smiles:
CC([C@@]12C[C@H]2C(=C)[C@@H](C1)O)C
InChi :
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10+/m0/s1
InChi Key :
InChIKey=MDFQXBNVOAKNAY-IVZWLZJFSA-N
PubChem ID :
42626427
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.856673
Hydrogen bond donor count :
1
Electric dipole moment :
2.020
XLogP :
2.192
VDW volume :
162.957156
Molecular weight :
152.120115
HOMO-LUMO gap :
10.601000
Herb list :
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Refrences & Litretures:
371. Journal:'Pharmaceutical Crops' Year:'2011' Volume:'2' Page:'28' DOI:'' Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us