Molecule

UNPD30923

AlkaPlorer ID: AK254741

Synonym: None

IUPAC Name: (3aS,4S,9bS)-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-carboxylic acid

Structure

SMILES: CC(C)=CCNC(=N)NCCC[C@@H]1NC2=CC=C(C(=O)O)C=C2[C@@H]2[C@H]1CCN2C(=N)NCC=C(C)C

InChI: InChI=1S/C27H41N7O2/c1-17(2)9-13-31-26(28)30-12-5-6-22-20-11-15-34(27(29)32-14-10-18(3)4)24(20)21-16-19(25(35)36)7-8-23(21)33-22/h7-10,16,20,22,24,33H,5-6,11-15H2,1-4H3,(H2,29,32)(H,35,36)(H3,28,30,31)/t20-,22-,24-/m0/s1

InChIKey: LUENCTUIABKZJY-SSPYTLHUSA-N

Reference

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

PubChem CID: 10255246

LOTUS: LTS0271134

SuperNatural Ⅲ: SN0215513-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Martinella iquitoensis	Martinella	Bignoniaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 495.6720000000003

TPSA？: 136.36

MolLogP？: 3.8928400000000014

Number of H-Donors: 7

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi