{11-ethyl-8,9,16-trihydroxy-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-13-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
AlkaPlorer ID: AK436170
Synonym: None
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9,16-trihydroxy-4,6,18-trimethoxy-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
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1
InChIKey: KPRGJDVXJLTFLK-IPVNYRSLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium grandiflorum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 668.7840000000003
TPSA？: 155.3
MolLogP？: 1.3810000000000018
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|