1-methoxy-5R,10S-agroclavine
AlkaPlorer ID: AK051245
Synonym: None
IUPAC Name: (6aR,10aS)-4-methoxy-7,9-dimethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline
Structure
SMILES: CON1C=C2C[C@@H]3[C@@H](C=C(C)CN3C)C3=CC=CC1=C23
InChI: InChI=1S/C17H20N2O/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)20-3)8-16(14)18(2)9-11/h4-7,10,14,16H,8-9H2,1-3H3/t14-,16+/m0/s1
InChIKey: OZXRMPYHEDZXHW-GOEBONIOSA-N
Reference
1-Methoxy-agroclavine from Penicillium sp. WC75209, a novel inhibitor of the Lck tyrosine kinase
PubChem CID: 10084407
LOTUS: LTS0028320
SuperNatural Ⅲ: SN0279698-01
NPASS: NPC51054
{NPAtlas: NPA003299
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 268.36
TPSA？: 17.4
MolLogP？: 2.599700000000001
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4