None
AlkaPlorer ID: AK018995
Synonym: None
IUPAC Name: 3-(16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoic acid
Structure
SMILES: C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)CC(=C5NC(=C2)C(C)C5CCC(=O)O)C4=N3)C(CC)=C1C
InChI: InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,36,38H,1,8-11H2,2-6H3,(H,39,40)
InChIKey: FDKRLXBXYZKWRZ-UHFFFAOYSA-N
Reference
A comprehensive metabolite profiling of Isatis tinctoria leaf extracts
PubChem CID: 3819540
CAS: 24533-72-0
LOTUS: LTS0030807
COCONUT: CNP0444169
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isatis tinctoria | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 534.6600000000003
TPSA？: 106.64
MolLogP？: 6.708700000000006
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|