Structure Database (LMSD)

O O O
Common Name
Norgarmultinone A
Systematic Name
Synonyms
LM ID
LMPK13070003
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)
BRFKRZZBUXMINJ-UREXBVOISA-N
InChi (Click to copy)
InChI=1S/C37H52O3/c1-25(2)15-14-18-32(38)37(23-30(28(7)8)21-19-26(3)4)24-31(22-20-27(5)6)36(9,10)33(35(37)40)34(39)29-16-12-11-13-17-29/h11-13,15-17,19-20,30-31,33H,7,14,18,21-24H2,1-6,8-10H3/t30?,31-,33+,37-/m0/s1
SMILES (Click to copy)
C1=CC(C(=O)[C@H]2[C@@](C)(C)[C@@H](C/C=C(\C)/C)C[C@@](CC(C/C=C(\C)/C)C(=C)C)(C(=O)CC/C=C(\C)/C)C2=O)=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
171120715

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 2
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 613.01
Topological Polar Surface Area 51.21
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 9.70
Molar Refractivity 168.28

Admin

Created at
1st Jul 2020
Updated at
4th Feb 2021