(1S,15R,16R,21R)-20-(prop-2-en-1-yl)-4,14,20-triazahexacyclo[13.6.2.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricosa-2,4,6,8,10,12-hexaene
AlkaPlorer ID: AK257876
Synonym: None
IUPAC Name: (1S,15R,16S,21R)-20-prop-2-enyl-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-2,4,6,8,10,12-hexaene
Structure
SMILES: C=CCN1CCC[C@@H]2[C@@H]1[C@@H]1CC[C@H]2N2C=CC3=C4C=CC=CC4=NC3=C12
InChI: InChI=1S/C23H25N3/c1-2-12-25-13-5-7-17-20-10-9-18(22(17)25)23-21-16(11-14-26(20)23)15-6-3-4-8-19(15)24-21/h2-4,6,8,11,14,17-18,20,22H,1,5,7,9-10,12-13H2/t17-,18-,20+,22+/m0/s1
InChIKey: ZWXFCPNRVNMFOO-GWOFKNCZSA-N
Reference
Alkaloids ofNitraria komarovii XVII. Peganine N-oxide, N-allylschoberine, and dehydronitramidine
PubChem CID: 163027615
LOTUS: LTS0098627
SuperNatural Ⅲ: SN0482497-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nitraria komarovii | Nitraria | Nitrariaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.47400000000005
TPSA？: 21.06
MolLogP？: 4.839800000000005
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|