Costaclavine
AlkaPlorer ID: AK026436
Synonym: None
IUPAC Name: (6aR,9R,10aS)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Structure
SMILES: C[C@@H]1C[C@H]2C3=C4C(=CNC4=CC=C3)C[C@H]2N(C)C1
InChI: InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13+,15-/m1/s1
InChIKey: VLMZMRDOMOGGFA-RIEGTJTDSA-N
Reference
Costaclavine fromPenicillium chermesinum
PubChem CID: 160462
CAS: 436-41-9
LOTUS: LTS0225662
NPASS: NPC175190
{NPAtlas: NPA024771
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ricinus communis | Ricinus | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Claviceps purpurea | Claviceps | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 240.35
TPSA？: 19.03
MolLogP？: 3.147800000000001
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|