1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 6-Me ether, 7-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK315553
Synonym: Triangularine B
IUPAC Name: 12-methoxy-14-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
Structure
SMILES: COC1=C2NC(=O)C3=CC4=C(OCO4)C(=C32)C2=CC=CC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=C12
InChI: InChI=1S/C29H31NO15/c1-39-26-15-9(17-16-10(27(38)30-18(16)26)5-12-25(17)42-8-41-12)3-2-4-11(15)43-29-24(37)22(35)20(33)14(45-29)7-40-28-23(36)21(34)19(32)13(6-31)44-28/h2-5,13-14,19-24,28-29,31-37H,6-8H2,1H3,(H,30,38)
InChIKey: GNZQTFWPRCGKGK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia triangularis | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 633.5590000000004
TPSA？: 235.32
MolLogP？: -1.7011000000000005
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|