[(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,8,9,16-tetrahydroxy-6,18-dimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
AlkaPlorer ID: AK381248
Synonym: None
IUPAC Name: (11-ethyl-4,8,9,16-tetrahydroxy-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Structure
SMILES: CCN1CC2(COC(=O)C3=CC=CC=C3N3C(=O)CC(C)C3=O)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14
InChI: InChI=1S/C35H46N2O10/c1-5-36-15-32(16-47-30(42)18-8-6-7-9-21(18)37-24(39)12-17(2)29(37)41)11-10-23(38)34-20-13-19-22(45-3)14-33(43,25(20)26(19)40)35(44,31(34)36)28(46-4)27(32)34/h6-9,17,19-20,22-23,25-28,31,38,40,43-44H,5,10-16H2,1-4H3
InChIKey: FRZAEBZEHFXWKR-UHFFFAOYSA-N
Reference
The C19-diterpenoid alkaloids of Delphinium bicolor
PubChem CID: 163036306
LOTUS: LTS0190475
COCONUT: CNP0316056.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium bicolor | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 654.7570000000005
TPSA？: 166.29999999999998
MolLogP？: 0.7269000000000018
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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