ChemFOnt: Showing chemical card for Ganoderic acid delta (CFc000017293)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:07:12 UTC

Chemfont ID

CFc000017293

Molecule Identification

Common Name

Ganoderic acid delta

Definition

Ganoderic acid gamma is found in mushrooms. Ganoderic acid gamma is a constituent of Ganoderma lucidum (reishi)

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ganoderate delta	Generator
Ganoderate δ	Generator
Ganoderic acid δ	Generator
7beta,12alpha-Dihydroxy-3,11,23-tetraoxo-5alpha-lanost-8-en-26-Oic acid	HMDB
Ganoderic acid D	HMDB
(2E)-6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-4-hydroxy-2-methylhept-2-enoate	Generator

Chemical Formula

C₃₀H₄₄O₇

Average Molecular Weight

516.6662

Monoisotopic Molecular Weight

516.308703762

IUPAC Name

(2E)-6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-4-hydroxy-2-methylhept-2-enoic acid

Traditional Name

(2E)-6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-4-hydroxy-2-methylhept-2-enoic acid

CAS Registry Number

294674-02-5

SMILES

CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O

InChI Identifier

InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+

InChI Key

JTBDTJVGIGEPFI-LFIBNONCSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Trihydroxy bile acid, alcohol, or derivatives
Hydroxy bile acid, alcohol, or derivatives
23-hydroxysteroid
Bile acid, alcohol, or derivatives
Steroid acid
3-oxosteroid
15-hydroxysteroid
Hydroxysteroid
11-oxosteroid
Oxosteroid
7-hydroxysteroid
Steroid
Medium-chain hydroxy acid
Medium-chain fatty acid
Hydroxy fatty acid
Cyclohexenone
Fatty acid
Unsaturated fatty acid
Fatty acyl
Cyclic alcohol
Ketone
Secondary alcohol
Cyclic ketone
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Carbonyl group
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0036306)

Source

Exogenous

Food

Food (HMDB: HMDB0036306)

Vegetable

Mushroom

Exogenous (HMDB: HMDB0036306)

Endogenous

Plant

Plant (HMDB: HMDB0036306)

Animal

Animal (HMDB: HMDB0036306)

Endogenous (HMDB: HMDB0036306)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0036306)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0036306)

Lipid metabolism pathway (HMDB: HMDB0036306)

Cellular process

Cell signaling (HMDB: HMDB0036306)

Biochemical process

Lipid transport (HMDB: HMDB0036306)

Role

Biological role

Energy source (HMDB: HMDB0036306)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0036306)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.016 g/L	ALOGPS
logP	3.27	ALOGPS
logP	3.1	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	4.52	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	132.13 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	140.68 m³·mol⁻¹	ChemAxon
Polarizability	57.26 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

HMDB0036306

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB015174

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

131751950

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Ganoderic acid delta (CFc000017293)

MOL for CFc000017293 (Ganoderic acid delta)

3D MOL for CFc000017293 (Ganoderic acid delta)

3D SDF for CFc000017293 (Ganoderic acid delta)

3D-SDF for CFc000017293 (Ganoderic acid delta)

PDB for CFc000017293 (Ganoderic acid delta)

3D PDB for CFc000017293 (Ganoderic acid delta)

SMILES for CFc000017293 (Ganoderic acid delta)

INCHI for CFc000017293 (Ganoderic acid delta)

Structure for CFc000017293 (Ganoderic acid delta)

3D Structure for CFc000017293 (Ganoderic acid delta)