Icaceine
AlkaPlorer ID: AK302266
Synonym: 17-(Dimethylamino)-3,6-dihydroxy-4-methyl-15-oxaandrost-7-ene-4-carboxylic acid
IUPAC Name: 6-(dimethylamino)-16-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one
Structure
SMILES: CN(C)C1COC2C3=CC4OC(=O)C5(C)C(O)CCC(C)(C3CCC21C)C45
InChI: InChI=1S/C22H33NO4/c1-20-9-7-16(24)22(3)17(20)14(27-19(22)25)10-12-13(20)6-8-21(2)15(23(4)5)11-26-18(12)21/h10,13-18,24H,6-9,11H2,1-5H3
InChIKey: MRVMMDQTZLIFLF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Icacina | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.5090000000002
TPSA？: 59.0
MolLogP？: 2.3805999999999994
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|