Structure Database (LMSD)

O O O
Common Name
Norgarmultinone B
Systematic Name
Synonyms
LM ID
LMPK13070004
Formula
C37H52O3
Exact Mass
Calculate m/z
544.391645
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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

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

Other Databases

PubChem CID
171120716

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
4th Feb 2021