(1S,2S,4S,15S,19S,21R)-2-hydroxy-21-methyl-26,27-diazaheptacyclo[13.7.3.1¹,¹⁵.1⁴,⁸.0²,¹³.0¹¹,²⁷.0¹⁹,²⁶]heptacosa-8,10,12-trien-7-one
AlkaPlorer ID: AK392495
Synonym: None
IUPAC Name: (1R,2S,4S,15R,19S,21R)-2-hydroxy-21-methyl-26,27-diazaheptacyclo[13.7.3.11,15.14,8.02,13.011,27.019,26]heptacosa-8,10,12-trien-7-one
Structure
SMILES: C[C@@H]1C[C@@H]2CCC[C@]34CCC[C@](C1)(N23)[C@]1(O)C[C@@H]2CCC(=O)C3=CC=C(C=C1C4)N32
InChI: InChI=1S/C26H34N2O2/c1-17-12-20-4-2-9-24-10-3-11-25(14-17,28(20)24)26(30)16-21-6-8-23(29)22-7-5-19(27(21)22)13-18(26)15-24/h5,7,13,17,20-21,30H,2-4,6,8-12,14-16H2,1H3/t17-,20+,21+,24-,25-,26+/m1/s1
InChIKey: GSQRVMWUUVYOJW-VFSDEZNGSA-N
Reference
Chilocorine D, a novel heptacyclic alkaloid from a coccinellid beetle (Chilocorus renipustulatus)
PubChem CID: 101201675
LOTUS: LTS0173487
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chilocorus renipustulatus | Chilocorus | Coccinellidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 406.5700000000002
TPSA？: 45.47
MolLogP？: 4.873500000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|