Tubastrindole A
AlkaPlorer ID: AK319026
Synonym: None
IUPAC Name: None
Structure
SMILES: CN1C(=N)N(C)[C@@]2(CC3=C(NC4=CC=CC=C34)[C@]3(C(=O)N(C)C(=N)N3C)[C@@H]2C2=CNC3=CC(Br)=CC=C23)C1=O
InChI: InChI=1S/C28H27BrN8O2/c1-34-23(38)27(36(3)25(34)30)12-17-15-7-5-6-8-19(15)33-22(17)28(24(39)35(2)26(31)37(28)4)21(27)18-13-32-20-11-14(29)9-10-16(18)20/h5-11,13,21,30-33H,12H2,1-4H3/t21-,27-,28+/m1/s1
InChIKey: LVABJUZWHKWSAZ-FQNJNTOFSA-N
Reference
PubChem CID: 44560568
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ageratina altissima | Ageratina | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stemona kerrii | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 587.4820000000002
TPSA？: 126.38
MolLogP？: 3.362840000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | None | None | 10.1021/np8001018 |