NP-MRD: Showing NP-Card for (2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid (NP0186474)

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Record Information

Version

2.0

Created at

2022-09-04 02:20:06 UTC

Updated at

2022-09-04 02:20:06 UTC

NP-MRD ID

NP0186474

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid

Description

(2S,5R,6R,10R,13R,14R)-13-[(1S)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]Hexadec-1(9)-ene-5-carboxylic acid belongs to the class of organic compounds known as androstane steroids. These are steroids with a structure based on the 19-carbon androstane skeleton. (2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid is found in Phellinus pomaceus. Based on a literature review very few articles have been published on (2S,5R,6R,10R,13R,14R)-13-[(1S)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]Hexadec-1(9)-ene-5-carboxylic acid.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Value	Source
(2S,5R,6R,10R,13R,14R)-13-[(1S)-1-Carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0,.0,]hexadec-1(9)-ene-5-carboxylate	Generator

Chemical Formula

C₂₄H₃₆O₄

Average Mass

388.5480 Da

Monoisotopic Mass

388.26136 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

IHPQSEQTJKDJKV-QVRPXHHCSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Phellinus pomaceus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as androstane steroids. These are steroids with a structure based on the 19-carbon androstane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Androstane steroids

Direct Parent

Androstane steroids

Alternative Parents

Substituents

Androstane-skeleton
Dicarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Not Available

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

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

163012675

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid (NP0186474)

MOL for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

3D MOL for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

3D SDF for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

3D-SDF for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

PDB for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

3D PDB for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

SMILES for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

INCHI for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

Structure for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)

3D Structure for NP0186474 ((2s,5r,6r,10r,13r,14r)-13-[(1s)-1-carboxyethyl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid)