102394-16-1
AlkaPlorer ID: AK007080
Synonym: 'Pibocin A', '2-Bromofestuclavine'
IUPAC Name: (6aR,9R,10aR)-5-bromo-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(=C(Br)NC4=CC=C3)C[C@H]2N(C)C1
InChI: InChI=1S/C16H19BrN2/c1-9-6-11-10-4-3-5-13-15(10)12(16(17)18-13)7-14(11)19(2)8-9/h3-5,9,11,14,18H,6-8H2,1-2H3/t9-,11-,14-/m1/s1
InChIKey: FPGWUIMYQFVIIY-GLXFQSAKSA-N
Reference
Pibocin, the first ergoline marine alkaloid from the Far-Eastern ascidian Eudistoma sp.
PubChem CID: 10336059
LOTUS: LTS0268983
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Clavelinidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 319.2460000000001
TPSA？: 19.03
MolLogP？: 3.910300000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|