2,7'-Cyclo-3,3',4,4',5,5',9'-heptahydroxy-8,8'-lign-7-en-9-oic acid; (7'S*,8'R*)-form, 9'-Carboxylic acid, 3,3',5,5'-tetra-Me ether, bis[(4-hydroxyphenyl)ethyl]amide
AlkaPlorer ID: AK293595
Synonym: Flavifloramide B
IUPAC Name: 7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
Structure
SMILES: COC1=CC(C2C3=C(OC)C(O)=C(OC)C=C3C=C(C(=O)NCCC3=CC=C(O)C=C3)C2C(O)=NCCC2=CC=C(O)C=C2)=CC(OC)=C1O
InChI: InChI=1S/C38H40N2O10/c1-47-28-19-24(20-29(48-2)34(28)43)31-32-23(18-30(49-3)35(44)36(32)50-4)17-27(37(45)39-15-13-21-5-9-25(41)10-6-21)33(31)38(46)40-16-14-22-7-11-26(42)12-8-22/h5-12,17-20,31,33,41-44H,13-16H2,1-4H3,(H,39,45)(H,40,46)
InChIKey: IFNFMIMLJKQPGW-UHFFFAOYSA-N
Reference
Anti-inflammatory compounds from Monascus pilosus-fermented rice
PubChem CID: 46888126
LOTUS: LTS0265229
NPASS: NPC469689
COCONUT: CNP0325633.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Litsea hypophaea | Litsea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 684.7420000000003
TPSA？: 179.53
MolLogP？: 5.246600000000006
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 100.0 | ug.mL-1 | 10.1021/np100022s |