| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 29 | Yes |
Popular Name: nobiletin nobiletin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10236-47-2 , 478-01-3 , [478-01-3]
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
478-01-3; 5,6,7,8,3',4'-Hexamethoxyflavone; C10112; Hexamethoxyflavone; Nobiletin
CPD000156231; Nobiletin; 478-01-3
CPD000156231; Nobiletin; SAM001246662
Nobiletin (Hexamethoxyflavone)
Nobiletin [478-01-3]; (3',4',5,6,7,8-Hexamethoxyflavone)
NOBILETIN, 20% (Technical Grade)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.37 | 8.25 | -12.54 | 0 | 8 | 0 | 86 | 402.399 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 4.064 | Bitter DB |
| M.P | 137-138C | Indofine Natural Products |
| MP | 138 | TCI |
| APPEARANCE | Brown Powder | Indofine Natural Products |
| therap | matrix metaloproteinase inhibitor; antineoplastic | MicroSource Spectrum |
| Target | Mitogen-activated protein kinase 8(P45983)&Apoptosis regulator BAX(Q07812)&Caspase-9(P55211)&Apoptosis regulator Bcl-2(P10415)&Cellular tumor antigen p53(P04637)&Peroxisome proliferator-activated receptor gamma(P37231)&Ephrin type-B receptor 2(P29323)&Sca | Herbal Ingredients Targets |
| Target | MMP | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP05400n | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP05400n | NIH Clinical Collection via PubChem |
| SOLUBILITY | Slightly soluble in water and ether | Indofine Natural Products |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABCG2-1-E | ATP-binding Cassette Sub-family G Member 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4900 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABCG2_HUMAN | Q9UNQ0 | ATP-binding Cassette Sub-family G Member 2, Human | 4400 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir transmembrane transport | |
| Iron uptake and transport |
