Cornigerine; (S)-form
AlkaPlorer ID: AK293004
Synonym: None
IUPAC Name: N-(5,19-dimethoxy-6-oxo-15,17-dioxatetracyclo[10.7.0.02,8.014,18]nonadeca-1(19),2,4,7,12,14(18)-hexaen-9-yl)acetamide
Structure
SMILES: COC1=C2C(=CC3=C1OCO3)CCC(N=C(C)O)C1=CC(=O)C(OC)=CC=C12
InChI: InChI=1S/C21H21NO6/c1-11(23)22-15-6-4-12-8-18-20(28-10-27-18)21(26-3)19(12)13-5-7-17(25-2)16(24)9-14(13)15/h5,7-9,15H,4,6,10H2,1-3H3,(H,22,23)
InChIKey: DCYAJVOKJAFSES-UHFFFAOYSA-N
Reference
Alkaloids and phenolics of three Merendera species
PubChem CID: 100188
CAS: 6877-25-4
LOTUS: LTS0019687
NPASS: NPC120215
COCONUT: CNP0306706.2
Source
Properties Information
Molecule Weight: 383.4000000000001
TPSA?: 86.58
MolLogP?: 3.4234000000000018
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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