[(1S,2R,3R,4R,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate
AlkaPlorer ID: AK319255
Synonym: None
IUPAC Name: [(1S,5R,6S,8R,9R,13S,16S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@](O)(C(OC)C23)C14
InChI: InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21?,23+,24+,27?,28?,29?,30?,32?,33+,34-,35+,36+/m1/s1
InChIKey: KFXVNXQXPRPLQA-IYDWVGTFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium cashmerianum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lupinus albus | Lupinus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum lycoctonum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 668.7840000000004
TPSA？: 144.3
MolLogP？: 1.789100000000002
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|