Botryllamide A; 4'-O-De-Me
AlkaPlorer ID: AK290879
Synonym: Botryllamide G
IUPAC Name: (Z)-N-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
Structure
SMILES: CO/C(=C\C1=CC=C(O)C=C1)C(O)=N/C=C/C1=CC(Br)=C(O)C(Br)=C1
InChI: InChI=1S/C18H15Br2NO4/c1-25-16(10-11-2-4-13(22)5-3-11)18(24)21-7-6-12-8-14(19)17(23)15(20)9-12/h2-10,22-23H,1H3,(H,21,24)/b7-6+,16-10-
InChIKey: DIAAHMADUFVQJZ-OCSBKKPVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Botrylloides | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 469.1290000000001
TPSA？: 82.28
MolLogP？: 5.237500000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ATP-binding cassette sub-family G member 2 | IC50 | 6900.0 | nM | None |
| Homo sapiens | HCT-116 | IC50 | 110000.0 | nM | 10.1021/np0499618 |