Icacine
AlkaPlorer ID: AK302268
Synonym: 17-(Dimethylamino)-3,19:7,8-diepoxy-3,6-dihydroxy-4-methyl-15-oxaandrostane-4-carboxylic acid γ-lactone
IUPAC Name: 6-(dimethylamino)-17-hydroxy-5,16-dimethyl-8,11,14,18-tetraoxaheptacyclo[15.2.2.11,13.02,10.05,9.010,12.016,22]docosan-15-one
Structure
SMILES: CN(C)C1COC2C1(C)CCC1C34CCC(O)(OC3)C3(C)C(=O)OC(C5OC521)C43
InChI: InChI=1S/C22H31NO6/c1-18-6-5-11-20-7-8-21(25,27-10-20)19(2)14(20)13(28-17(19)24)15-22(11,29-15)16(18)26-9-12(18)23(3)4/h11-16,25H,5-10H2,1-4H3
InChIKey: VSTATNJCZCHFTM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Icacina | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.49100000000016
TPSA？: 80.76
MolLogP？: 0.9298000000000002
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|