(+)-Kopsoffinol
AlkaPlorer ID: AK074350
Synonym: 'Kopsoffinol'
IUPAC Name: methyl (1R,9R,16R,18R,21S)-6-[(15R,17R,19S)-15-[(1R)-1-hydroxyethyl]-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
Structure
SMILES: COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(C6=CC([C@H]7C[C@]8([C@@H](C)O)CCCN9CCC%10=C([C@@H]98)N7C7=CC=CC=C%107)=CC=C6N[C@]15CC2)[C@@H]43
InChI: InChI=1S/C40H48N4O3/c1-24(45)38-13-6-17-42-19-11-27-26-7-3-4-8-31(26)44(33(27)34(38)42)32(23-38)25-9-10-30-28(21-25)39-16-20-43-18-5-12-37(36(39)43)14-15-40(39,41-30)29(22-37)35(46)47-2/h3-4,7-10,21,24,29,32,34,36,41,45H,5-6,11-20,22-23H2,1-2H3/t24-,29+,32-,34-,36+,37-,38+,39-,40-/m1/s1
InChIKey: NKQJSTGACVZXMS-GJSHZQPMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia pauciflora | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 632.8490000000002
TPSA？: 69.97
MolLogP？: 5.937900000000006
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|