NP-MRD: Showing NP-Card for (1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione (NP0230877)

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Record Information

Version

2.0

Created at

2022-09-06 11:28:24 UTC

Updated at

2022-09-06 11:28:24 UTC

NP-MRD ID

NP0230877

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione

Description

(1S,2S,4R,5S,6R,9S,10R,17R)-5,10-dihydroxy-1,6-dimethyl-12-(propan-2-yl)-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]Heptadeca-11,15-diene-7,14-dione belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. (1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione is found in Nageia nagi. Based on a literature review very few articles have been published on (1S,2S,4R,5S,6R,9S,10R,17R)-5,10-dihydroxy-1,6-dimethyl-12-(propan-2-yl)-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]Heptadeca-11,15-diene-7,14-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

DGNOPGIIPQKNHD-GVIZVCPESA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Nageia nagi	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
Naphthalene
Pyranone
Oxepane
Pyran
Gamma butyrolactone
Heteroaromatic compound
Tetrahydrofuran
Cyclic alcohol
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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

12313081

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione (NP0230877)

MOL for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

3D MOL for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

3D SDF for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

3D-SDF for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

PDB for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

3D PDB for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

SMILES for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

INCHI for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

Structure for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)

3D Structure for NP0230877 ((1s,2s,4r,5s,6r,9s,10r,17r)-5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione)