Ipobscurine B
AlkaPlorer ID: AK049890
Synonym: '(-)-Ipobscurine B'
IUPAC Name: (E)-N-[2-[5-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-1H-indol-3-yl]ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
Structure
SMILES: COC1=CC([C@@H](O)[C@H](CO)OC2=CC=C3NC=C(CCN=C(O)/C=C/C4=CC=C(O)C=C4)C3=C2)=CC=C1O
InChI: InChI=1S/C29H30N2O7/c1-37-26-14-19(5-10-25(26)34)29(36)27(17-32)38-22-8-9-24-23(15-22)20(16-31-24)12-13-30-28(35)11-4-18-2-6-21(33)7-3-18/h2-11,14-16,27,29,31-34,36H,12-13,17H2,1H3,(H,30,35)/b11-4+/t27-,29+/m0/s1
InChIKey: LMWMSKRQOYZVFO-SWBAOWADSA-N
Reference
Ipobscurines C and D: macrolactam-type indole alkaloids from the seeds of Ipomoea obscura
PubChem CID: 5318459
LOTUS: LTS0029724
NPASS: NPC151210
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ipomoea obscura | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 518.5660000000003
TPSA？: 147.76000000000002
MolLogP？: 4.273400000000004
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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