Allo-RA-V
AlkaPlorer ID: AK283931
Synonym: None
IUPAC Name: 24-hydroxy-7-[(4-methoxyphenyl)methyl]-2,4,8,10,13,30-hexamethyl-22-oxa-2,5,8,11,14,30-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-3,6,9,12,15,29-hexone
Structure
SMILES: COC1=CC=C(CC2C(=O)NC(C)C(=O)N(C)C3CC4=CC(=C(O)C=C4)OC4=CC=C(C=C4)CC(C(=O)NC(C)C(=O)NC(C)C(=O)N2C)N(C)C3=O)C=C1
InChI: InChI=1S/C40H48N6O9/c1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-20-27-12-17-33(47)34(21-27)55-29-15-10-26(11-16-29)19-31(36(49)41-22)45(5)40(32)53/h8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)
InChIKey: BFWKHFSUFRVBCP-UHFFFAOYSA-N
Reference
CAS: 1379654-43-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rubia cordifolia | Rubia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 756.8570000000001
TPSA？: 186.92
MolLogP？: 1.543100000000004
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|