Damirone A; N1-De-Me
AlkaPlorer ID: AK001000
Synonym: Damirone B
IUPAC Name: 7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
Structure
SMILES: CN1CCC2=CNC3=C2C1=CC(=O)C3=O
InChI: InChI=1S/C11H10N2O2/c1-13-3-2-6-5-12-10-9(6)7(13)4-8(14)11(10)15/h4-5,12H,2-3H2,1H3
InChIKey: JYLGJUYDUWMFOL-UHFFFAOYSA-N
Reference
Two New Pyrroloquinoline Alkaloids from the Sponge Damiria sp.
PubChem CID: 2947
CAS: 138683-67-7
LOTUS: LTS0128933
NPASS: NPC100104
COCONUT: CNP0187767
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zyzzya fuliginosa | Zyzzya | None | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Damiria | Acarnidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 202.213
TPSA？: 53.17
MolLogP？: 0.6089
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 3102.0 | nM | 10.1021/np034084b |