Ipobscurine B
AlkaPlorer ID: AK446334
Synonym: None
IUPAC Name: N-[2-[5-[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(O)C(CO)OC2=CC=C3NC=C(CCN=C(O)C=CC4=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)
InChIKey: LMWMSKRQOYZVFO-UHFFFAOYSA-N
Reference
Ipobscurines C and D: macrolactam-type indole alkaloids from the seeds of Ipomoea obscura
PubChem CID: 78385122
CAS: 571144-95-1
LOTUS: LTS0112937
COCONUT: CNP0312301.1
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 |
|---|