Structure Database (LMSD)
Common Name
3,3'-Dimethoxyleprotene
Systematic Name
3,3'-Dimethoxyl-phi,phi-Carotene
Synonyms
- 3,3'-Dimethoxy-isorenieratene
3D model of 3,3'-Dimethoxyleprotene
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)
SOXWBUZWHMMBGV-QQXHRLQXSA-N
InChi (Click to copy)
InChI=1S/C42H52O2/c1-29(19-15-21-31(3)23-25-39-33(5)27-41(43-11)37(9)35(39)7)17-13-14-18-30(2)20-16-22-32(4)24-26-40-34(6)28-42(44-12)38(10)36(40)8/h13-28H,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+
SMILES (Click to copy)
C1(C)=C(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=C/C2C(C)=CC(OC)=C(C)C=2C)\C)=C(C)C=C1OC
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Streptomyces argillaceus
(#41951)
Actinomycetia
(#1760)
Uncovering production of specialized metabolites by Streptomyces argillaceus: Activation of cryptic biosynthesis gene clusters using nutritional and genetic approaches.,
PLoS One, 2018
PLoS One, 2018
Pubmed ID:
29795673
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
2
Aromatic Rings
2
Rotatable Bonds
12
Van der Waals Molecular Volume
666.62
Topological Polar Surface Area
18.46
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
11.73
Molar Refractivity
194.93
Admin
Created at
17th Nov 2021
Updated at
10th Jan 2022