Crassicauline A
AlkaPlorer ID: AK385113
Synonym: None
IUPAC Name: [(2R,3R,5S,6S,8R,13S,17R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Structure
SMILES: CCN1C[C@]2(COC)CCC(OC)C34C1C(C(OC)[C@@H]32)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1C2OC(=O)C1=CC=C(OC)C=C1
InChI: InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23?,24+,25-,26?,27?,28-,29?,30?,32+,33+,34-,35?/m1/s1
InChIKey: GAZDXIGXYWVWQX-VVBNGALSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum bulleyanum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 643.7740000000003
TPSA？: 122.22
MolLogP？: 2.7151000000000023
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|