Molecule

Endiandramide A

AlkaPlorer ID: AK053183

Synonym: None

IUPAC Name: (1S,2S,3R,6R,7R,10S,11S,12S)-2-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)tetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxamide

Structure

SMILES: CC(C)CNC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CC4=CC=C5OCOC5=C4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43

InChI: InChI=1S/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,21+,24-,25-/m1/s1

InChIKey: VJYDYOYYSFAXSI-DLGBIPEUSA-N

Reference

Anti-inflammatory Endiandric Acid Analogues from the Roots of <i>Beilschmiedia tsangii</i>

PubChem CID: 54669853

LOTUS: LTS0260153

NPASS: NPC275150

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Austrobaileya scandens	Austrobaileya	Austrobaileyaceae	Austrobaileyales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia jaxartica	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Veronica intercedens	Veronica	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Quercus laurifolia	Quercus	Fagaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Beilschmiedia tsangii	Beilschmiedia	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Centaurea dealbata	Centaurea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Schlumbergera truncata	Schlumbergera	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Micromelum integerrimum	Micromelum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Papaver glaucum	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Inocybe aeruginascens	Inocybe	Inocybaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Salvia divaricata	Salvia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 405.5380000000001

TPSA？: 47.56

MolLogP？: 4.216500000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	Nitric oxide synthase, inducible	Emax	97.32	%	10.1021/np200279r
Mus musculus	Nitric oxide synthase, inducible	IC50	9590.0	nM	10.1021/np200279r