Icaceine
AlkaPlorer ID: AK005657
Synonym: None
IUPAC Name: (1R,12R,15R,16S,19R)-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: C[C@]12CC[C@@H]([C@]3([C@@H]1[C@@H](C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O
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/t13?,14-,15?,16+,17-,18?,20-,21?,22+/m1/s1
InChIKey: MRVMMDQTZLIFLF-IQTYJBGDSA-N
Reference
Two new diterpene-based alkaloids from Icacina guesfeldtii
PubChem CID: 441738
CAS: 74991-71-2
Source
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Properties Information
Molecule Weight: 375.5090000000001
TPSA？: 59.0
MolLogP？: 2.3806000000000007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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