Structure Database (LMSD)

Common Name
Norgarmultinone B
Systematic Name
Synonyms
LM ID
LMPK13070004
Status
Active
Exact Mass
Calculate m/z
544.391645
Formula
C37H52O3
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenylmethanes, acylphloroglucinols and benzophenones [PK1307]

String Representations

InChiKey (Click to copy)
SBVJVVFLLCFBQZ-WNSQYSPKSA-N
InChi (Click to copy)
InChI=1S/C37H52O3/c1-25(2)15-14-18-31(38)37-23-29(21-19-26(3)4)35(7,8)32(33(39)28-16-12-11-13-17-28)34(37)40-36(9,10)30(24-37)22-20-27(5)6/h11-13,15-17,19-20,29-30H,14,18,21-24H2,1-10H3/t29-,30+,37-/m1/s1
SMILES (Click to copy)
C1=CC(C(=O)C2[C@@](C)(C)[C@H](C/C=C(\C)/C)C[C@@]3(C[C@H](C/C=C(\C)/C)[C@@](C)(C)OC=23)C(=O)CC/C=C(\C)/C)=CC=C1

References

Reference
Two Novel Cyclohexanone-Monocyclic Polycyclic Polyprenylated Acylphloroglucinols From Garcinia multiflora Fruits
DOI: 10.1080/14786419.2020.1788559
PMID: 32603194

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Garcinia multiflora (#1009474)
Magnoliopsida (#3398)
Two novel cyclohexanone-monocyclic polycyclic polyprenylated acylphloroglucinols from Garcinia multiflora fruits.,
Nat Prod Res, 2020
Pubmed ID: 32603194

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 3
Aromatic Rings 1
Rotatable Bonds 10
Van der Waals Molecular Volume 603.29
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 10.29
Molar Refractivity 167.67

Admin

Created at
1st Jul 2020
Updated at
1st Jul 2020