Botryllamide A; Bis(debromo), 4'-O-de-Me
AlkaPlorer ID: AK290878
Synonym: Botryllamide F
IUPAC Name: (Z)-3-(4-hydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide
Structure
SMILES: CO/C(=C\C1=CC=C(O)C=C1)C(O)=N/C=C/C1=CC=C(O)C=C1
InChI: InChI=1S/C18H17NO4/c1-23-17(12-14-4-8-16(21)9-5-14)18(22)19-11-10-13-2-6-15(20)7-3-13/h2-12,20-21H,1H3,(H,19,22)/b11-10+,17-12-
InChIKey: ZEMJXZVZGDTQEK-ATRNFBLSSA-N
Reference
PubChem CID: 11243862
CAS: 724434-04-2
LOTUS: LTS0176058
SuperNatural Ⅲ: SN0468239-03
NPASS: NPC37302
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Botrylloides | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 311.33700000000005
TPSA？: 82.28
MolLogP？: 3.712500000000002
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 | 16700.0 | nM | None |
| Homo sapiens | HCT-116 | IC50 | 85000.0 | nM | 10.1021/np0499618 |