ChemFOnt: Showing chemical card for Ganoderic acid DM (CFc000013939)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:02:28 UTC

Chemfont ID

CFc000013939

Molecule Identification

Common Name

Ganoderic acid DM

Definition

Ganoderic acid DM is found in mushrooms. Ganoderic acid DM is a constituent of Ganoderma lucida (reishi).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3,7-Dioxolanosta-8,24-dien-26-Oic acid	HMDB
(2E)-2-Methyl-6-{2,6,6,11,15-pentamethyl-5,9-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}hept-2-enoate	Generator
Ganoderic acid DM	MeSH
Ganoderate DM	Generator

Chemical Formula

C₃₀H₄₄O₄

Average Molecular Weight

468.668

Monoisotopic Molecular Weight

468.323959896

IUPAC Name

(2E)-2-methyl-6-{2,6,6,11,15-pentamethyl-5,9-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}hept-2-enoic acid

Traditional Name

(2E)-2-methyl-6-{2,6,6,11,15-pentamethyl-5,9-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}hept-2-enoic acid

CAS Registry Number

173075-45-1

SMILES

CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O

InChI Identifier

InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+

InChI Key

ZTKZZRIVAYGFSF-VXLYETTFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Triterpene saponins

Alternative Parents

Substituents

Triterpene saponin
Triterpenoid
12-hydroxysteroid
Hydroxysteroid
Steroid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Fatty acyl
Oxane
Monosaccharide
Cyclic alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Carboxylic acid
Acetal
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Organooxygen compound
Carbonyl group
Primary alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0032837)

Source

Endogenous

Endogenous (HMDB: HMDB0032837)

Plant

Plant (HMDB: HMDB0032837)

Animal

Animal (HMDB: HMDB0032837)

Exogenous

Food

Food (HMDB: HMDB0032837)

Vegetable

Mushroom

Exogenous (HMDB: HMDB0032837)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0032837)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0032837)

Lipid metabolism pathway (HMDB: HMDB0032837)

Cellular process

Cell signaling (HMDB: HMDB0032837)

Biochemical process

Lipid transport (HMDB: HMDB0032837)

Role

Biological role

Energy source (HMDB: HMDB0032837)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0032837)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.0012 g/L	ALOGPS
logP	6.37	ALOGPS
logP	6.79	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	4.81	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	71.44 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	136.13 m³·mol⁻¹	ChemAxon
Polarizability	55.04 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0032836

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB010813

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

73745597

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Ganoderic acid DM (CFc000013939)

MOL for CFc000013939 (Ganoderic acid DM)

3D MOL for CFc000013939 (Ganoderic acid DM)

3D SDF for CFc000013939 (Ganoderic acid DM)

3D-SDF for CFc000013939 (Ganoderic acid DM)

PDB for CFc000013939 (Ganoderic acid DM)

3D PDB for CFc000013939 (Ganoderic acid DM)

SMILES for CFc000013939 (Ganoderic acid DM)

INCHI for CFc000013939 (Ganoderic acid DM)

Structure for CFc000013939 (Ganoderic acid DM)

3D Structure for CFc000013939 (Ganoderic acid DM)