methyl (1R,4S,15R,16R,24S)-23-oxo-8,10-dioxa-5,18-diazaheptacyclo[14.5.2.1¹,¹⁵.0⁴,¹⁵.0⁶,¹⁴.0⁷,¹¹.0¹⁸,²⁴]tetracosa-6(14),7(11),12,20-tetraene-4-carboxylate
AlkaPlorer ID: AK263989
Synonym: None
IUPAC Name: methyl (1R,4S,15R,16S,19R)-20-oxo-8,10-dioxa-5,17-diazaheptacyclo[15.4.3.01,16.04,15.06,14.07,11.015,19]tetracosa-6(14),7(11),12,22-tetraene-4-carboxylate
Structure
SMILES: COC(=O)[C@]12CC[C@]34C=CCN5C[C@H](C(=O)C3)[C@@]1(C1=CC=C3OCOC3=C1N2)[C@@H]54
InChI: InChI=1S/C22H22N2O5/c1-27-19(26)21-7-6-20-5-2-8-24-10-13(14(25)9-20)22(21,18(20)24)12-3-4-15-17(16(12)23-21)29-11-28-15/h2-5,13,18,23H,6-11H2,1H3/t13-,18+,20-,21-,22+/m1/s1
InChIKey: SHHCSRDWKLBJFU-KVCGMVBWSA-N
Reference
Kopreasin A, a New Indole Alkaloid from Kopsia arborea
PubChem CID: 163020272
LOTUS: LTS0059926
SuperNatural Ⅲ: SN0345540-01
NPASS: NPC244644
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Robinia pseudoacacia | Robinia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lecocarpus pinnatifidus | Lecocarpus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 394.4270000000001
TPSA？: 77.10000000000001
MolLogP？: 1.6135999999999997
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|