Structure Database (LMSD)

Common Name
3-Methoxy-3'-hydroxyleprotene
Systematic Name
3-Methoxyl-phi,phi-Caroten-3'-ol
Synonyms
LM ID
LMPR01071043
Formula
Exact Mass
Calculate m/z
574.38108
Status
Active

Classification

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)
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

PubChem CID
Carotenoid ID

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