20-oxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0?,¹².0?,¹¹.0¹?,²¹]henicosa-6,8,10-triene-4-carboxylic acid
AlkaPlorer ID: AK254283
Synonym: None
IUPAC Name: (1R,4S,12R,13S,16R)-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6,8,10-triene-4-carboxylic acid
Structure
SMILES: O=C1C[C@@]23CCCN4C[C@H]1[C@@]1(C5=CC=CC=C5N[C@@]1(C(=O)O)CC2)[C@@H]43
InChI: InChI=1S/C20H22N2O3/c23-15-10-18-6-3-9-22-11-13(15)20(16(18)22)12-4-1-2-5-14(12)21-19(20,8-7-18)17(24)25/h1-2,4-5,13,16,21H,3,6-11H2,(H,24,25)/t13-,16+,18-,19-,20+/m1/s1
InChIKey: VMYIEWNUGAYDHM-MKCULMFZSA-N
Reference
Kopsihainanines A and B, two unusual alkaloids from Kopsia hainanensis
PubChem CID: 54590592
LOTUS: LTS0270842
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia hainanensis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.4070000000001
TPSA？: 69.64
MolLogP？: 2.0205
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|