Structure Database (LMSD)
Common Name
1-Methoxy-1,2-dihydrophytofluene
Systematic Name
1-Methoxy-1,2,7,8,7',8',11',12'-octahydro-psi,psi-carotene
Synonyms
3D model of 1-Methoxy-1,2-dihydrophytofluene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AGJDGLNRBJNDSS-XGUSNRRUSA-N
InChi (Click to copy)
InChI=1S/C41H66O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,16,20-22,25-28,31H,14-15,17-19,23-24,29-30,32-33H2,1-11H3/b13-12+,25-16+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
SMILES (Click to copy)
C(=C(/C)\CCCC(C)(C)OC)/CC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rhodospirillum rubrum
(#1085)
Alphaproteobacteria
(#28211)
The mono- and dimethoxy-carotenoids of diphenylamine-inhibited cultures of rhodospirillum rubrum",
Phytochemistry, 1970
Phytochemistry, 1970
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
Aromatic Rings
Rotatable Bonds
21
Van der Waals Molecular Volume
702.89
Topological Polar Surface Area
9.23
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
13.75
Molar Refractivity
192.64
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021