Exiguamine A; (±)-form
AlkaPlorer ID: AK298160
Synonym: None
IUPAC Name: 16-(2-aminoethyl)-9-hydroxy-1',3',6,6-tetramethylspiro[11-oxa-18-aza-6-azoniapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(13),2,7,9,15(19),16-hexaene-12,5'-imidazolidine]-2',4',14,20-tetrone
Structure
SMILES: CN1C(=O)N(C)C2(OC3=C(O)C=C4C(=C3C3=C2C(=O)C2=C(NC=C2CCN)C3=O)CC[N+]4(C)C)C1=O
InChI: InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1
InChIKey: UEKKREMMIOJMRO-UHFFFAOYSA-O
Reference
Target substances of some antifungal agents in the cell membrane
PubChem CID: 15946462
COCONUT: CNP0434481.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia exigua | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 492.5120000000004
TPSA？: 146.03
MolLogP？: 0.7898000000000001
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Indoleamine 2,3-dioxygenase | Ki | 210.0 | nM | 10.1039/C9MD00208A |