Melofoline
AlkaPlorer ID: AK305474
Synonym: None
IUPAC Name: 2-(dimethylamino)-N-(7-ethyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-3-hydroxy-4-methylpentanamide
Structure
SMILES: CCC1N=C(O)C(N=C(O)C(C(O)C(C)C)N(C)C)C(C(C)C)OC2=CC=C(C=CN=C1O)C=C2
InChI: InChI=1S/C26H40N4O5/c1-8-19-24(32)27-14-13-17-9-11-18(12-10-17)35-23(16(4)5)20(25(33)28-19)29-26(34)21(30(6)7)22(31)15(2)3/h9-16,19-23,31H,8H2,1-7H3,(H,27,32)(H,28,33)(H,29,34)
InChIKey: YTKIUQMMCNEDNK-UHFFFAOYSA-N
Reference
Cyclopeptide alkaloids from Melochia corchorifolia
PubChem CID: 162847749
CAS: 107316-95-0
LOTUS: LTS0117424
COCONUT: CNP0109297.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melochia corchorifolia | Melochia | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 488.6290000000002
TPSA？: 130.47
MolLogP？: 4.038100000000002
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|