Hymenialdisine; E-Isomer, debromo
AlkaPlorer ID: AK028627
Synonym: (10E)-Debromohymenialdisine
IUPAC Name: 4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Structure
SMILES: N=C1NC(=O)C(=C2CCNC(=O)C3=C2C=CN3)N1
InChI: InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
InChIKey: JYRJOQGKGMHTOO-UHFFFAOYSA-N
Reference
Bioactive Alkaloids from the Tropical Marine Sponge Axinella carteri
PubChem CID: 135525717
CAS: 75593-17-8
LOTUS: LTS0032841
NPASS: NPC50518
COCONUT: CNP0282111
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hymeniacidon | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Phakellia | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Ptilometra australis | Ptilometra | Ptilometridae | Comatulida | Crinoidea | Echinodermata | Metazoa | Eukaryota |
| None | Hymeniacidon | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 245.242
TPSA？: 109.87
MolLogP？: -0.4865300000000001
Number of H-Donors: 5
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|