Structure Database (LMSD)

Common Name
3,3'-Dimethoxyleprotene
Systematic Name
3,3'-Dimethoxyl-phi,phi-Carotene
Synonyms
  • 3,3'-Dimethoxy-isorenieratene
LM ID
LMPR01071044
Formula
C42H52O2
Exact Mass
Calculate m/z
588.39673
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces argillaceus (#41951)
Actinomycetes (#1760)
Uncovering production of specialized metabolites by Streptomyces argillaceus: Activation of cryptic biosynthesis gene clusters using nutritional and genetic approaches.,
PLoS One, 2018
Pubmed ID: 29795673

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

Other Databases

PubChem CID
12084686
Carotenoid ID
CA01233

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