ChemFOnt: Showing chemical card for Ganodermic acid P2 (CFc000016303)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:05:48 UTC

Chemfont ID

CFc000016303

Molecule Identification

Common Name

Ganodermic acid P2

Definition

Ganoderic acid P is found in mushrooms. Ganoderic acid P is a constituent of the cultured mycelium of Ganoderma lucidum (reishi).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ganodermate P2	Generator
15a,22S-Diacetoxy-3b-hydroxylanosta-7,9(11),24E-trien-26-Oic acid	HMDB
(2E)-5-(Acetyloxy)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methylhept-2-enoate	Generator

Chemical Formula

C₃₄H₅₀O₇

Average Molecular Weight

570.7566

Monoisotopic Molecular Weight

570.355653954

IUPAC Name

(2E)-5-(acetyloxy)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methylhept-2-enoic acid

Traditional Name

(2E)-5-(acetyloxy)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methylhept-2-enoic acid

CAS Registry Number

112430-69-0

SMILES

CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C

InChI Identifier

InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(37)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+

InChI Key

KQKZINUOFUEGEI-VXLYETTFSA-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

Not Available

Substituents

Not Available

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: HMDB0035292)

Source

Exogenous

Exogenous (HMDB: HMDB0035292)

Food

Food (HMDB: HMDB0035292)

Vegetable

Mushroom

Endogenous

Endogenous (HMDB: HMDB0035292)

Plant

Plant (HMDB: HMDB0035292)

Animal

Animal (HMDB: HMDB0035292)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0035292)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0035292)

Lipid metabolism pathway (HMDB: HMDB0035292)

Cellular process

Cell signaling (HMDB: HMDB0035292)

Biochemical process

Lipid transport (HMDB: HMDB0035292)

Role

Biological role

Energy source (HMDB: HMDB0035292)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0035292)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.0013 g/L	ALOGPS
logP	6.3	ALOGPS
logP	4.88	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	4.45	ChemAxon
pKa (Strongest Basic)	-0.78	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	110.13 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	158.79 m³·mol⁻¹	ChemAxon
Polarizability	65.03 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	Yes	ChemAxon

External Links

HMDB ID

HMDB0035292

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB013959

KNApSAcK ID

C00035102

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

13916711

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Ganodermic acid P2 (CFc000016303)

MOL for CFc000016303 (Ganodermic acid P2)

3D MOL for CFc000016303 (Ganodermic acid P2)

3D SDF for CFc000016303 (Ganodermic acid P2)

3D-SDF for CFc000016303 (Ganodermic acid P2)

PDB for CFc000016303 (Ganodermic acid P2)

3D PDB for CFc000016303 (Ganodermic acid P2)

SMILES for CFc000016303 (Ganodermic acid P2)

INCHI for CFc000016303 (Ganodermic acid P2)

Structure for CFc000016303 (Ganodermic acid P2)

3D Structure for CFc000016303 (Ganodermic acid P2)