Structure database (LMSD)

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LM IDLMPK13070003
Common NameNorgarmultinone A
Systematic Name-
Synonyms-
Exact Mass
544.3916 (neutral)    Calculate m/z:
FormulaC37H52O3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenylmethanes, acylphloroglucinols and benzophenones [PK1307]
PubChem CID-
InChIKeyBRFKRZZBUXMINJ-UREXBVOISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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
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StatusActive
ReferencesTwo Novel Cyclohexanone-Monocyclic Polycyclic Polyprenylated Acylphloroglucinols From Garcinia multiflora Fruits
DOI: 10.1080/14786419.2020.1788559
PMID: 32603194
Calculated physicochemical properties (?):
 Heavy Atoms40Rings2Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
613.01Topological Polar
Surface Area
51.21Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP9.70Molar
Refractivity
168.28