Botryllamide A; 5E-Isomer
AlkaPlorer ID: AK290876
Synonym: Botryllamide B
IUPAC Name: (Z)-N-[(E)-2-(3,5-dibromo-4-methoxyphenyl)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(OC)C(Br)=C1
InChI: InChI=1S/C19H17Br2NO4/c1-25-17(11-12-3-5-14(23)6-4-12)19(24)22-8-7-13-9-15(20)18(26-2)16(21)10-13/h3-11,23H,1-2H3,(H,22,24)/b8-7+,17-11-
InChIKey: VIVASROQEPDEJV-HQFFKOPYSA-N
Reference
PubChem CID: 10254699
CAS: 163564-65-6
LOTUS: LTS0073933
SuperNatural Ⅲ: SN0391483-02
NPASS: NPC213471
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Botryllus schlosseri | Botryllus | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 483.1560000000001
TPSA？: 71.28
MolLogP？: 5.540500000000003
Number of H-Donors: 2
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 | 11200.0 | nM | None |
| Homo sapiens | ATP-binding cassette sub-family G member 2 | IC50 | 33000.0 | nM | None |
| Homo sapiens | HCT-116 | IC50 | 33000.0 | nM | 10.1021/np0499618 |