NP-MRD: Showing NP-Card for (2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid (NP0176533)

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Record Information

Version

2.0

Created at

2022-09-03 14:12:40 UTC

Updated at

2022-09-03 14:12:41 UTC

NP-MRD ID

NP0176533

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid

Description

Tanzawaic acid E, also known as tanzawaate e, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. (2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid is found in Penicillium steckii. (2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid was first documented in 2014 (PMID: 25453820). Based on a literature review very few articles have been published on Tanzawaic acid E.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Value	Source
Tanzawaate e	Generator

Chemical Formula

C₁₈H₂₆O₃

Average Mass

290.4030 Da

Monoisotopic Mass

290.18819 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

GGRDDTWLVPZMAU-GRMGSOJRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Penicillium steckii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents

Substituents

Medium-chain fatty acid
Hydroxy fatty acid
Unsaturated fatty acid
Tertiary alcohol
Cyclic alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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

C00037885

Chemspider ID

10185826

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21576171

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Quang TH, Ngan NTT, Ko W, Kim DC, Yoon CS, Sohn JH, Yim JH, Kim YC, Oh H: Tanzawaic acid derivatives from a marine isolate of Penicillium sp. (SF-6013) with anti-inflammatory and PTP1B inhibitory activities. Bioorg Med Chem Lett. 2014 Dec 15;24(24):5787-5791. doi: 10.1016/j.bmcl.2014.10.035. Epub 2014 Oct 17. [PubMed:25453820 ]
LOTUS database [Link]

Showing NP-Card for (2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid (NP0176533)

MOL for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

3D MOL for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

3D SDF for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

3D-SDF for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

PDB for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

3D PDB for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

SMILES for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

INCHI for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

Structure for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)

3D Structure for NP0176533 ((2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid)