Cardiopimine
AlkaPlorer ID: AK157417
Synonym: '(-)-Cardiopimine'
IUPAC Name: [(1R,2S,3S,4S,5S,8R,9S,10R,11R,14R,16S,17R,18R,19R)-2,19-diacetyloxy-3-hydroxy-5-methyl-12-methylidene-4-(2-methylpropanoyloxy)-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] benzoate
Structure
SMILES: C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)CN4[C@@H]4[C@H]2[C@@H](OC(=O)C2=CC=CC=C2)[C@H]1[C@H](OC(C)=O)[C@H]3[C@]54[C@H](OC(C)=O)[C@@H](O)[C@H]6OC(=O)C(C)C
InChI: InChI=1S/C35H41NO9/c1-15(2)31(40)45-29-23(39)30(43-18(5)38)35-26-20-13-34-12-16(3)21(25(27(34)35)42-17(4)37)24(44-32(41)19-10-8-7-9-11-19)22(34)28(35)36(20)14-33(26,29)6/h7-11,15,20-30,39H,3,12-14H2,1-2,4-6H3/t20-,21-,22+,23-,24-,25-,26+,27+,28+,29+,30+,33+,34-,35+/m0/s1
InChIKey: HHFRTFPVERTNQD-BVUAMGLSSA-N
Reference
Five diterpenoid alkaloids from Delphinium cardiopetalum
PubChem CID: 163104266
LOTUS: LTS0163606
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium verdunense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 619.7110000000002
TPSA？: 128.67
MolLogP？: 2.918800000000001
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|