methyl (1R,9R,16R,18R,20R,21R)-20-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6-triene-18-carboxylate
AlkaPlorer ID: AK020388
Synonym: None
IUPAC Name: methyl (1R,9R,16R,18R,20R,21R)-20-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Structure
SMILES: COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(C6=CC=CC=C6N[C@]15C[C@H]2O)[C@@H]43
InChI: InChI=1S/C21H26N2O3/c1-26-17(25)14-11-19-7-4-9-23-10-8-20(18(19)23)13-5-2-3-6-15(13)22-21(14,20)12-16(19)24/h2-3,5-6,14,16,18,22,24H,4,7-12H2,1H3/t14-,16+,18-,19-,20+,21+/m0/s1
InChIKey: VWJIKULGAZNZAP-HGAFHURDSA-N
Reference
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
PubChem CID: 137325361
LOTUS: LTS0051075
SuperNatural Ⅲ: SN0401923-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia fruticosa | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000005
TPSA？: 61.8
MolLogP？: 1.9007
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|