Molecule

12-epi-Hapalindole E isonitrile

AlkaPlorer ID: AK112891

Synonym: '(+)-12-Epihapalindole E isonitrile'

IUPAC Name: N-[(1R,2S,3R,5S,6S)-3-chloro-2-ethenyl-6-(1H-indol-3-yl)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanimine

Structure

SMILES: C=C[C@]1(C)[C@H](Cl)C[C@H](C(=C)C)[C@@H](C2=CNC3=CC=CC=C23)[C@H]1N=C

InChI: InChI=1S/C21H25ClN2/c1-6-21(4)18(22)11-15(13(2)3)19(20(21)23-5)16-12-24-17-10-8-7-9-14(16)17/h6-10,12,15,18-20,24H,1-2,5,11H2,3-4H3/t15-,18-,19+,20-,21-/m1/s1

InChIKey: UHKHERPYCHUONP-CMWLGVBASA-N

Reference

Welwitindolinones, Unusual Alkaloids from the Blue-Green Algae Hapalosiphon welwitschii and Westiella intricata. Relationship to Fischerindoles and Hapalinodoles

PubChem CID: 162963059

LOTUS: LTS0068098

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hapalosiphon welwitschii	Hapalosiphon	Hapalosiphonaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 340.8980000000001

TPSA？: 28.15

MolLogP？: 5.716400000000006

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi