105708-76-7
AlkaPlorer ID: AK015080
Synonym: None
IUPAC Name: (4aS,9aS)-7-bromo-2-methyl-4a,9-bis(3-methylbut-2-enyl)-4,9a-dihydro-3H-oxazino[6,5-b]indole
Structure
SMILES: CC(C)=CCN1C2=CC(Br)=CC=C2[C@]2(CC=C(C)C)CCN(C)O[C@H]12
InChI: InChI=1S/C21H29BrN2O/c1-15(2)8-10-21-11-13-23(5)25-20(21)24(12-9-16(3)4)19-14-17(22)6-7-18(19)21/h6-9,14,20H,10-13H2,1-5H3/t20-,21-/m0/s1
InChIKey: NWEUSXXVDOPMJX-SFTDATJTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 405.3800000000003
TPSA？: 15.71
MolLogP？: 5.422600000000006
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|