methyl (1S,12R,19S,24S)-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3(11),4(8),9,17,20-pentaene-21-carboxylate
AlkaPlorer ID: AK127688
Synonym: None
IUPAC Name: methyl (1S,12R,19S,24S)-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9,17,20-pentaene-21-carboxylate
Structure
SMILES: COC(=O)C1=C[C@@]23C=CCN4CC[C@@]5(C6=CC=C7OCOC7=C6N[C@]15CC2)[C@@H]43
InChI: InChI=1S/C22H22N2O4/c1-26-18(25)14-11-20-5-2-9-24-10-8-21(19(20)24)13-3-4-15-17(28-12-27-15)16(13)23-22(14,21)7-6-20/h2-5,11,19,23H,6-10,12H2,1H3/t19-,20+,21+,22+/m0/s1
InChIKey: IFJMJHZFUMYZHD-DXBBTUNJSA-N
Reference
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
PubChem CID: 21579238
LOTUS: LTS0067335
SuperNatural Ⅲ: SN0144192-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia fruticosa | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 378.42800000000017
TPSA？: 60.03
MolLogP？: 2.3547
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|