[(1S,2R,3R,4S,5S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(3R)-4-methoxy-3-methyl-4-oxobutanamido]benzoate
AlkaPlorer ID: AK492712
Synonym: None
IUPAC Name: (11-ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-[(4-methoxy-3-methyl-4-oxobutanoyl)amino]benzoate
Structure
SMILES: CCN1CC2(COC(=O)C3=CC=CC=C3N=C(O)CC(C)C(=O)OC)CCC(OC)C34C5CC6CCC(O)(C5C6OC)C(O)(C(OC)C23)C14
InChI: InChI=1S/C37H52N2O10/c1-7-39-18-34(19-49-32(42)22-10-8-9-11-24(22)38-26(40)16-20(2)31(41)48-6)14-13-25(45-3)36-23-17-21-12-15-35(43,27(23)28(21)46-4)37(44,33(36)39)30(47-5)29(34)36/h8-11,20-21,23,25,27-30,33,43-44H,7,12-19H2,1-6H3,(H,38,40)
InChIKey: PQUGXRLCDABVSU-UHFFFAOYSA-N
Reference
Norditerpene Alkaloids from Delphinium cuneatum
PubChem CID: 162927475
LOTUS: LTS0266039
COCONUT: CNP0197279.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium cuneatum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 684.8270000000006
TPSA？: 156.57999999999998
MolLogP？: 3.2980000000000027
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|