Molecule

Martinelline

AlkaPlorer ID: AK305276

Synonym: None

IUPAC Name: [(E)-4-(diaminomethylideneamino)-2-methylbut-2-enyl] 1-[N'-(3-methylbut-2-enyl)carbamimidoyl]-4-[3-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]propyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-8-carboxylate

Structure

SMILES: CC(C)=CCNC(=N)NCCCC1NC2=CC=C(C(=O)OC/C(C)=C/CNC(=N)N)C=C2C2C1CCN2C(=N)NCC=C(C)C

InChI: InChI=1S/C33H52N10O2/c1-21(2)10-15-40-32(36)39-14-6-7-27-25-13-18-43(33(37)41-16-11-22(3)4)29(25)26-19-24(8-9-28(26)42-27)30(44)45-20-23(5)12-17-38-31(34)35/h8-12,19,25,27,29,42H,6-7,13-18,20H2,1-5H3,(H2,37,41)(H4,34,35,38)(H3,36,39,40)/b23-12+

InChIKey: FPVNQNWIIKWQLV-FSJBWODESA-N

Reference

Martinelline and Martinellic Acid, Novel G-Protein Linked Receptor Antagonists from the Tropical Plant Martinella iquitosensis (Bignoniaceae)

PubChem CID: 44211718

LOTUS: LTS0265381

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Martinella	Acrididae	Orthoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 620.8470000000002

TPSA？: 187.26

MolLogP？: 3.7808100000000033

Number of H-Donors: 9

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi