Molecule

Endolide A

AlkaPlorer ID: AK102947

Synonym: None

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

Structure

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

InChI: InChI=1S/C27H38N4O6/c1-16(2)11-20-26(34)30(5)22(13-19-8-10-37-15-19)25(33)29-23(17(3)4)27(35)31(6)21(24(32)28-20)12-18-7-9-36-14-18/h7-10,14-17,20-23H,11-13H2,1-6H3,(H,28,32)(H,29,33)/t20-,21-,22-,23-/m0/s1

InChIKey: AAXRHGMEDOIXIE-MLCQCVOFSA-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: 132559160

LOTUS: LTS0106394

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NPAtlas: NPA023793

Source

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

Properties Information

Molecule Weight: 514.6230000000003

TPSA？: 132.08

MolLogP？: 3.6777000000000015

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Vasopressin V1a receptor	Ki	7040.0	nM	10.1039/C9MD00050J