Heinsiagenin A
AlkaPlorer ID: AK300076
Synonym: None
IUPAC Name: (2E,4E)-N-(4,5-dimethyl-2-oxooxolan-3-yl)-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhepta-2,4-dienamide
Structure
SMILES: C/C(=C\C=C\C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1C
InChI: InChI=1S/C36H55NO4/c1-21(10-9-11-22(2)30(39)37-29-23(3)24(4)41-31(29)40)25-14-16-34(8)27-13-12-26-32(5,6)28(38)15-17-35(26)20-36(27,35)19-18-33(25,34)7/h9-11,21,23-29,38H,12-20H2,1-8H3,(H,37,39)/b10-9+,22-11+
InChIKey: CRNJWKWUVKKONS-AXOQHARZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Heinsia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 565.8390000000004
TPSA？: 79.12
MolLogP？: 7.831500000000009
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|