Ajacine
AlkaPlorer ID: AK018003
Synonym: ''
IUPAC Name: [(1S,2R,5R,6S,8R,9R,10S,13S,16R)-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-acetamidobenzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N=C(C)O)CC[C@@H](OC)[C@@]34C2C(OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4C1C2OC
InChI: InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24-,25?,26?,27?,28?,30+,31+,32-,33+,34+/m1/s1
InChIKey: NUXFDCYXMLVOFU-GUPHIOCESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum umbrosum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Consolida ajacis | Consolida | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 628.7630000000003
TPSA？: 139.51
MolLogP？: 2.7436000000000016
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|