Convolutindole A
AlkaPlorer ID: AK051293
Synonym: 2,4,6-Tribromo-1,7-dimethoxy-N,N-dimethyl-1H-indole-3-ethanamine, 2,4,6-Tribromo-3-(2-dimethylaminoethyl)-1,7-dimethoxyindole
IUPAC Name: N,N-dimethyl-2-(2,4,6-tribromo-1,7-dimethoxyindol-3-yl)ethanamine
Structure
SMILES: COC1=C(Br)C=C(Br)C2=C1N(OC)C(Br)=C2CCN(C)C
InChI: InChI=1S/C14H17Br3N2O2/c1-18(2)6-5-8-11-9(15)7-10(16)13(20-3)12(11)19(21-4)14(8)17/h7H,5-6H2,1-4H3
InChIKey: KPTXBOJWIDAMOS-UHFFFAOYSA-N
Reference
PubChem CID: 5324072
CAS: 443356-86-3
LOTUS: LTS0004435
SuperNatural Ⅲ: SN0192115
NPASS: NPC98685
COCONUT: CNP0234390
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amathia convoluta | Amathia | Vesiculariidae | Ctenostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 485.0140000000002
TPSA？: 26.630000000000003
MolLogP？: 4.099900000000004
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | LD99 | 50.0 | ug ml-1 | 10.1021/np010574x |
| Heteropogon contortus | Heteropogon contortus | LD99 | 0.39 | ug ml-1 | 10.1021/np010574x |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | LD99 | nan | None | 10.1021/np010574x |