Parasubindole E; 3α-Hydroxy, 1-O-(2-methylbutanoyl)
AlkaPlorer ID: AK309386
Synonym: Parasubindole C
IUPAC Name: None
Structure
SMILES: CC=C(C)C(=O)OC1C(O)C(C)C2(C)CC3=C(C)C(=O)C4(C(=O)NC5=CC=CC=C54)C3(O)CC2(O)C1OC(=O)C(C)CC
InChI: InChI=1S/C33H41NO9/c1-8-16(3)27(37)42-24-23(35)19(6)30(7)14-21-18(5)25(36)33(20-12-10-11-13-22(20)34-29(33)39)31(21,40)15-32(30,41)26(24)43-28(38)17(4)9-2/h8,10-13,17,19,23-24,26,35,40-41H,9,14-15H2,1-7H3,(H,34,39)
InChIKey: VXDNBJRCMGICMB-UHFFFAOYSA-N
Reference
CAS: 2254808-46-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Parasenecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 595.6890000000001
TPSA？: 159.45999999999998
MolLogP？: 2.884500000000001
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|