Structure Database (LMSD)
Common Name
3-Methoxy-3'-hydroxyleprotene
Systematic Name
3-Methoxyl-phi,phi-Caroten-3'-ol
Synonyms
3D model of 3-Methoxy-3'-hydroxyleprotene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
PLoS One, 2018
Pubmed ID:
29795673
String Representations
InChiKey (Click to copy)
NMDUIRDPZACVNV-OIRRSCHYSA-N
InChi (Click to copy)
InChI=1S/C41H50O2/c1-28(18-14-20-30(3)22-24-38-32(5)26-40(42)36(9)34(38)7)16-12-13-17-29(2)19-15-21-31(4)23-25-39-33(6)27-41(43-11)37(10)35(39)8/h12-27,42H,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,28-16+,29-17+,30-20+,31-21+
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(O)=C(C)C=2C)\C)=C(C)C=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
2
Aromatic Rings
2
Rotatable Bonds
11
Van der Waals Molecular Volume
649.32
Topological Polar Surface Area
29.46
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
11.43
Molar Refractivity
190.04
Admin
Created at
17th Nov 2021
Updated at
10th Jan 2022