6-bromo-3a-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-7-ol
AlkaPlorer ID: AK051277
Synonym: None
IUPAC Name: (3aS,8bS)-6-bromo-8b-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-ol
Structure
SMILES: CC(C)=CCC/C(C)=C/C[C@@]12CCN(C)[C@@H]1NC1=C(O)C(Br)=CC=C12
InChI: InChI=1S/C21H29BrN2O/c1-14(2)6-5-7-15(3)10-11-21-12-13-24(4)20(21)23-18-16(21)8-9-17(22)19(18)25/h6,8-10,20,23,25H,5,7,11-13H2,1-4H3/b15-10+/t20-,21-/m0/s1
InChIKey: XZWZAEHOBMJOPL-CCHDSSJHSA-N
Reference
Four New Bromotryptamine Derivatives from the Marine Bryozoan <i>Flustra foliacea</i>
PubChem CID: 21776594
LOTUS: LTS0243480
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 405.38000000000005
TPSA？: 35.5
MolLogP？: 5.562400000000007
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|