NP-MRD: Showing NP-Card for (1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione (NP0303810)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-10 18:28:17 UTC

Updated at

2022-09-10 18:28:18 UTC

NP-MRD ID

NP0303810

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione

Description

(1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]Hexadeca-5,7-diene-4,11-dione belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Based on a literature review very few articles have been published on (1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]Hexadeca-5,7-diene-4,11-dione.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₂O₇

Average Mass

362.3780 Da

Monoisotopic Mass

362.13655 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

UTAIQJCLBFIWFX-LOXDUSFCSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Furofurans

Sub Class

Not Available

Direct Parent

Furofurans

Alternative Parents

Substituents

Furofuran
3-furanone
Gamma butyrolactone
Dihydrofuran
Tetrahydrofuran
Vinylogous ester
Lactone
Ketone
Hemiacetal
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
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

163078576

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione (NP0303810)

MOL for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

3D MOL for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

3D SDF for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

3D-SDF for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

PDB for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

3D PDB for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

SMILES for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

INCHI for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

Structure for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)

3D Structure for NP0303810 ((1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione)