Cyclopiamide A
AlkaPlorer ID: AK116639
Synonym: 7,8-Dihydro-2,7,7-trimethyl-1H-isoindolo[4,5,6-cd]indole-1,9(2H)dione, Cyclopiamide
IUPAC Name: 5,5,13-trimethyl-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9,11-pentaene-3,14-dione
Structure
SMILES: CN1C(=O)C2=C3C(=O)NC(C)(C)C3=CC3=CC=CC1=C23
InChI: InChI=1S/C16H14N2O2/c1-16(2)9-7-8-5-4-6-10-11(8)13(15(20)18(10)3)12(9)14(19)17-16/h4-7H,1-3H3,(H,17,19)
InChIKey: HLFQVBSECSOJNP-UHFFFAOYSA-N
Reference
Cyclopiamide, an isoindolo[4,6-cd]indole from Penicillium cyclopium
PubChem CID: 180420
LOTUS: LTS0078324
SuperNatural Ⅲ: SN0128734
NPASS: NPC47409
COCONUT: CNP0260348
Source
Properties Information
Molecule Weight: 266.3
TPSA？: 49.41
MolLogP？: 2.408300000000001
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00829 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 12600.0 | nM | 10.1021/acs.jnatprod.6b00829 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00829 |