Molecule

Antalid

AlkaPlorer ID: AK077118

Synonym: None

IUPAC Name: (4R,7R,8R,9E,13S)-4-benzyl-7-[(2S)-2-hydroxybutyl]-8,10-dimethyl-13-propan-2-yl-6-oxa-15-thia-3,12,17-triazabicyclo[12.2.1]heptadeca-1(16),9,14(17)-triene-2,5,11-trione

Structure

SMILES: CC[C@H](O)C[C@H]1OC(=O)[C@@H](CC2=CC=CC=C2)N=C(O)C2=CSC(=N2)[C@H](C(C)C)N=C(O)/C(C)=C/[C@H]1C

InChI: InChI=1S/C28H37N3O5S/c1-6-20(32)14-23-17(4)12-18(5)25(33)31-24(16(2)3)27-30-22(15-37-27)26(34)29-21(28(35)36-23)13-19-10-8-7-9-11-19/h7-12,15-17,20-21,23-24,32H,6,13-14H2,1-5H3,(H,29,34)(H,31,33)/b18-12+/t17-,20+,21-,23-,24+/m1/s1

InChIKey: LMWDPSXUGSTACD-NUVVKISZSA-N

Reference

Isolation, Structure Elucidation, Biosynthesis, and Synthesis of Antalid, a Secondary Metabolite from <i>Polyangium species</i>

PubChem CID: 132603303

LOTUS: LTS0004369

{

NPAtlas: NPA017475

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Polyangium sp.	Polyangium	Polyangiaceae	Polyangiales	None	Myxococcota	None	Bacteria

Properties Information

Molecule Weight: 527.6870000000002

TPSA？: 124.6

MolLogP？: 5.381400000000005

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi