5-Methoxytryptamine; Nb-(4-Hydroxy-Z-cinnamoyl)
AlkaPlorer ID: AK305771
Synonym: N-Z-p-Coumaroyl-5-methoxytryptamine, cis-Centcyamine
IUPAC Name: (E)-3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
Structure
SMILES: COC1=CC=C2NC=C(CCN=C(O)/C=C/C3=CC=C(O)C=C3)C2=C1
InChI: InChI=1S/C20H20N2O3/c1-25-17-7-8-19-18(12-17)15(13-22-19)10-11-21-20(24)9-4-14-2-5-16(23)6-3-14/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-4+
InChIKey: DAYQHEUNAQSDHV-RUDMXATFSA-N
Reference
Indole alkaloids from the seeds of Centaurea cyanus (Asteraceae)
PubChem CID: 636923
CAS: 365540-94-9
LOTUS: LTS0058082
NPASS: NPC123705
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Centaurea cyanus | Centaurea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 336.391
TPSA？: 77.84
MolLogP？: 4.094500000000003
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|