[(1R,2S,3S,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-2,8,9-trihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate
AlkaPlorer ID: AK549752
Synonym: None
IUPAC Name: (11-ethyl-2,8,9-trihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-aminobenzoate
Structure
SMILES: CCN1CC2(COC(=O)C3=CC=CC=C3N)CCC(OC)C34C2C(OC)C(O)(C13)C1(O)CC(OC)C2CC4(O)C1C2OC
InChI: InChI=1S/C32H46N2O9/c1-6-34-15-28(16-43-26(35)17-9-7-8-10-19(17)33)12-11-21(40-3)31-24(28)25(42-5)32(38,27(31)34)30(37)14-20(39-2)18-13-29(31,36)23(30)22(18)41-4/h7-10,18,20-25,27,36-38H,6,11-16,33H2,1-5H3
InChIKey: VNRZCPPHNPEBFC-UHFFFAOYSA-N
Reference
Isolation and structure elucidation of the alkaloids of Delphinium glaucescens Rybd
PubChem CID: 162882746
LOTUS: LTS0142717
COCONUT: CNP0148731.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium glaucescens | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 602.7250000000003
TPSA？: 153.17000000000002
MolLogP？: 0.8328000000000031
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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