Delgrandine
AlkaPlorer ID: AK325141
Synonym: None
IUPAC Name: [(6R,7S,13R)-4,6,18-triacetyloxy-5-benzoyloxy-7-formyl-17-hydroxy-7,10-dimethyl-15-methylidene-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-13-yl] benzoate
Structure
SMILES: C=C1CC23C(O)C4C5C6(C(OC(C)=O)C(OC(=O)C7=CC=CC=C7)[C@H](OC(C)=O)[C@@]5(C)C=O)C(C2[C@@H](OC(=O)C2=CC=CC=C2)C1C(OC(C)=O)C36)N4C
InChI: InChI=1S/C41H43NO12/c1-19-17-40-26-28(53-37(48)23-13-9-7-10-14-23)25(19)29(50-20(2)44)32(40)41-31(27(34(40)47)42(6)33(26)41)39(5,18-43)35(51-21(3)45)30(36(41)52-22(4)46)54-38(49)24-15-11-8-12-16-24/h7-16,18,25-36,47H,1,17H2,2-6H3/t25?,26?,27?,28-,29?,30?,31?,32?,33?,34?,35-,36?,39-,40?,41?/m0/s1
InChIKey: XDDAEJYWWRYPIF-LFWGBXPDSA-N
Reference
NPASS: NPC57866
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Consolida ajacis | Consolida | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum carmichaelii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Delphinium yunnanense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 741.7900000000001
TPSA？: 172.04000000000002
MolLogP？: 2.933300000000001
Number of H-Donors: 1
Number of H-Acceptors: 13
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|