Molecule

Endolide B

AlkaPlorer ID: AK102955

Synonym: None

IUPAC Name: (3S,6S,9S,12S)-3,6,12-tris(furan-3-ylmethyl)-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Structure

SMILES: CC(C)[C@@H]1N=C(O)[C@H](CC2=COC=C2)N(C)C(=O)[C@H](CC2=COC=C2)N=C(O)[C@H](CC2=COC=C2)N(C)C1=O

InChI: InChI=1S/C28H34N4O7/c1-17(2)24-28(36)32(4)22(12-19-6-9-38-15-19)25(33)29-21(11-18-5-8-37-14-18)27(35)31(3)23(26(34)30-24)13-20-7-10-39-16-20/h5-10,14-17,21-24H,11-13H2,1-4H3,(H,29,33)(H,30,34)/t21-,22-,23-,24-/m0/s1

InChIKey: VEZDPJCGIWZHLV-ZJZGAYNASA-N

Reference

Endolides A and B, Vasopressin and Serotonin-Receptor Interacting <i>N</i>-Methylated Peptides from the Sponge-Derived Fungus <i>Stachylidium</i> sp.

PubChem CID: 132559161

LOTUS: LTS0059135

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NPAtlas: NPA023794

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Stachylidium	Plectosphaerellaceae	Glomerellales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 538.6010000000002

TPSA？: 145.22

MolLogP？: 3.4673000000000025

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	770.0	nM	10.1039/C9MD00050J