NP-MRD: Showing NP-Card for (1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate (NP0274482)

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Record Information

Version

2.0

Created at

2022-09-08 21:53:27 UTC

Updated at

2022-09-08 21:53:27 UTC

NP-MRD ID

NP0274482

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate

Description

(1S,2R,5S,7Z,10S,11S)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]Dodeca-3,7-dien-2-yl 3-methylbut-2-enoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. (1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate is found in Viburnum odoratissimum. Based on a literature review very few articles have been published on (1S,2R,5S,7Z,10S,11S)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]Dodeca-3,7-dien-2-yl 3-methylbut-2-enoate.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Value	Source
(1S,2R,5S,7Z,10S,11S)-10-Hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoic acid	Generator

Chemical Formula

C₂₅H₃₆O₆

Average Mass

432.5570 Da

Monoisotopic Mass

432.25119 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

ZQWMKRARJFFPQR-STQIHQKYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Viburnum odoratissimum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acid esters

Direct Parent

Fatty acid esters

Alternative Parents

Substituents

Fatty acid ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Cyclic ketone
Secondary alcohol
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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

162895691

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate (NP0274482)

MOL for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

3D MOL for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

3D SDF for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

3D-SDF for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

PDB for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

3D PDB for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

SMILES for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

INCHI for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

Structure for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)

3D Structure for NP0274482 ((1s,2r,3z,5s,7z,10s,11s)-10-hydroxy-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-9-oxo-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate)