Molecule

12-epi-hapalindole U

AlkaPlorer ID: AK007901

Synonym: None

IUPAC Name: (2S,3R,4S,7S)-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene

Structure

SMILES: C[C@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])C3=CNC4=CC=CC(=C43)C2(C)C)C=C

InChI: InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21+/m0/s1

InChIKey: SLUFHMQYBPOTFZ-BQBKMSKFSA-N

Reference

Discovery of a Calcium‐Dependent Enzymatic Cascade for the Selective Assembly of Hapalindole‐Type Alkaloids: On the Biosynthetic Origin of Hapalindole U

PubChem CID: 124081728

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fischerella ambigua	Fischerella	Hapalosiphonaceae	Nostocales	Cyanophyceae	Cyanobacteriota	Bacillati	Bacteria

Properties Information

Molecule Weight: 304.43700000000007

TPSA？: 20.15

MolLogP？: 5.432890000000005

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi