Molecule

Isoconulothiazole B

AlkaPlorer ID: AK083789

Synonym: None

IUPAC Name: (2E,7Z)-7-benzyl-8-chloro-2,4-dimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]octa-2,7-dienamide

Structure

SMILES: C/C(=C\C(C)CC/C(=C/Cl)CC1=CC=CC=C1)C(=O)N[C@@H](C)C1=NC=CS1

InChI: InChI=1S/C22H27ClN2OS/c1-16(9-10-20(15-23)14-19-7-5-4-6-8-19)13-17(2)21(26)25-18(3)22-24-11-12-27-22/h4-8,11-13,15-16,18H,9-10,14H2,1-3H3,(H,25,26)/b17-13+,20-15-/t16?,18-/m0/s1

InChIKey: UVEMTFXECCTWBX-JJNFMDHOSA-N

Reference

A joint molecular networking study of a <i>Smenospongia</i> sponge and a cyanobacterial bloom revealed new antiproliferative chlorinated polyketides

PubChem CID: 156582059

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NPAtlas: NPA031112

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trichodesmium sp.	Trichodesmium	Microcoleaceae	Oscillatoriales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 402.9910000000001

TPSA？: 41.99

MolLogP？: 6.048300000000006

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi