486992-27-2
AlkaPlorer ID: AK048589
Synonym: '', 'Neoamphimedine Y'
IUPAC Name: (3R,4R)-3,4,8-trihydroxy-5-methyl-5,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,7,9,11,13(21),14,16,18-octaen-6-one
Structure
SMILES: CN1C(=O)C2=C(O)C3=NC=CC4=C3C(=C2[C@@H](O)[C@H]1O)NC1=CC=CC=C14
InChI: InChI=1S/C19H15N3O4/c1-22-18(25)13-12(17(24)19(22)26)14-11-9(6-7-20-15(11)16(13)23)8-4-2-3-5-10(8)21-14/h2-7,17,19,21,23-24,26H,1H3/t17-,19-/m1/s1
InChIKey: GKGDVRWSPIQBGB-IEBWSBKVSA-N
Reference
Structures and Cytotoxic Properties of Sponge-Derived Bisannulated Acridines
PubChem CID: 10882608
LOTUS: LTS0257639
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia carbonaria | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 349.34600000000006
TPSA？: 105.92000000000002
MolLogP？: 2.1018
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|