15 Known Ingredients in Total
Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.
6 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC73416
Formula: C15H10O4
Ingredient ID: NPC73416
| Common Name | 1-Hydroxy-2-Methoxyanthracene-9,10-Dione |
| IUPAC Name | 1-hydroxy-2-methoxyanthracene-9,10-dione |
| Canonical SMILES | COc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1 |
| Standard InCHI | InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3 |
| Standard InCHIKey | BYQWRZGQEZAOPQ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 80103 ZINC ID: ZINC000004042240 ChEMBL ID: CHEMBL451977 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC73416] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rubia tinctorum | Rubia | Rubiaceae |
 |
| Croton penduliflorus | Croton | Euphorbiaceae | |
| Asperula odorata | Asperula | Rubiaceae |
|
| Populus tomentosa | Populus | Salicaceae |
|
| Litsea konishii | Litsea | Lauraceae | |
| Vepris louisii | Vepris | Rutaceae |
|
| Asperula odora | Asperula | Rubiaceae |
|
| Alangium platanifolium | Alangium | Cornaceae |
 |
| Rubia cordifolia | Rubia | Rubiaceae |
|
| Gynochthodes officinalis | Gynochthodes | Rubiaceae | |
| Rubia akane | Rubia | Rubiaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| Lychnophora columnaris | Lychnophora | Asteraceae |
Ingredient ID: NPC57552
Formula: C16H12O3
Ingredient ID: NPC57552
| Common Name | n.a. |
| IUPAC Name | 1-methoxy-2-methylanthracene-9,10-dione |
| Canonical SMILES | COc1c(C)ccc2c1C(=O)c1c(C2=O)cccc1 |
| Standard InCHI | InChI=1S/C16H12O3/c1-9-7-8-12-13(16(9)19-2)15(18)11-6-4-3-5-10(11)14(12)17/h3-8H,1-2H3 |
| Standard InCHIKey | MZFYROVNJMBHPG-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 3534338 ZINC ID: ZINC000005343165 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC57552] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Croton penduliflorus | Croton | Euphorbiaceae | |
| Ligusticum sinense | Ligusticum | Apiaceae |
|
| Populus tomentosa | Populus | Salicaceae |
|
| Litsea konishii | Litsea | Lauraceae | |
| Vepris louisii | Vepris | Rutaceae |
|
| Asperula odora | Asperula | Rubiaceae |
|
| Alangium platanifolium | Alangium | Cornaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| Gynochthodes umbellata | Gynochthodes | Rubiaceae | |
| Lychnophora columnaris | Lychnophora | Asteraceae |
Ingredient ID: NPC53206
Formula: C15H10O4
Ingredient ID: NPC53206
| Common Name | Rubiadin |
| IUPAC Name | 1,3-dihydroxy-2-methylanthracene-9,10-dione |
| Canonical SMILES | O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C |
| Standard InCHI | InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3 |
| Standard InCHIKey | IRZTUXPRIUZXMP-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 124062 ZINC ID: ZINC000004098705 ChEMBL ID: CHEMBL251251 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC53206] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Garcinia cantleyana | Garcinia | Clusiaceae | |
| Lonicera korolkowii | Lonicera | Caprifoliaceae | |
| Ipomoea cairica | Ipomoea | Convolvulaceae |
|
| Croton penduliflorus | Croton | Euphorbiaceae | |
| Rubia yunnanensis | Rubia | Rubiaceae |
|
| Knoxia valerianoides | Knoxia | Rubiaceae |
|
| Pteris aquilina | Pteris | Pteridaceae |
|
| Populus tomentosa | Populus | Salicaceae |
|
| Litsea konishii | Litsea | Lauraceae | |
| Daphne aurantiaca | Daphne | Thymelaeaceae | |
| Vepris louisii | Vepris | Rutaceae |
|
| Asperula odora | Asperula | Rubiaceae |
|
| Alangium platanifolium | Alangium | Cornaceae |
|
| Portulaca pilosa | Portulaca | Portulacaceae |
|
| Rubia cordifolia | Rubia | Rubiaceae |
|
| Croton steenkampianus | Croton | Euphorbiaceae | |
| Isodon rubescens | Isodon | Lamiaceae | |
| Rubia wallichiana | Rubia | Rubiaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| Morinda officinalis | Morinda | Rubiaceae | |
| Eriostemon brucei | Eriostemon | Rutaceae | |
| Gynochthodes umbellata | Gynochthodes | Rubiaceae | |
| Hymenodictyon excelsum | Hymenodictyon | Rubiaceae |
|
| Lychnophora columnaris | Lychnophora | Asteraceae |
Ingredient ID: NPC44437
Formula: C14H8O4
Ingredient ID: NPC44437
| Common Name | Xanthopurpurin |
| IUPAC Name | 1,3-dihydroxyanthracene-9,10-dione |
| Canonical SMILES | Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1 |
| Standard InCHI | InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H |
| Standard InCHIKey | WPWWKBNOXTZDQJ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 196978 ZINC ID: ZINC000013481200 ChEMBL ID: CHEMBL372711 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC44437] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rubia tinctorum | Rubia | Rubiaceae |
|
| Ipomoea cairica | Ipomoea | Convolvulaceae |
|
| Croton penduliflorus | Croton | Euphorbiaceae | |
| Rubia yunnanensis | Rubia | Rubiaceae |
|
| Knoxia valerianoides | Knoxia | Rubiaceae |
|
| Asperula odorata | Asperula | Rubiaceae |
|
| Populus tomentosa | Populus | Salicaceae |
|
| Litsea konishii | Litsea | Lauraceae | |
| Vepris louisii | Vepris | Rutaceae |
|
| Asperula odora | Asperula | Rubiaceae |
|
| Alangium platanifolium | Alangium | Cornaceae |
|
| Rubia cordifolia | Rubia | Rubiaceae |
|
| Rubia akane | Rubia | Rubiaceae |
|
| Rubia wallichiana | Rubia | Rubiaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| Gynochthodes umbellata | Gynochthodes | Rubiaceae | |
| Lychnophora columnaris | Lychnophora | Asteraceae |
Ingredient ID: NPC294226
Formula: C14H8O4
Ingredient ID: NPC294226
| Common Name | Athraquinones A |
| IUPAC Name | 1,2-dihydroxyanthracene-9,10-dione |
| Canonical SMILES | O=C1c2ccccc2C(=O)c2c1ccc(c2O)O |
| Standard InCHI | InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H |
| Standard InCHIKey | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 6293 ZINC ID: ZINC000003860973 ChEMBL ID: CHEMBL55814 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC294226] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rubia tinctorum | Rubia | Rubiaceae |
|
| Polygonum cuspidatum | Polygonum | Polygonaceae |
|
| Vitex negundo | Vitex | Lamiaceae |
|
| Croton penduliflorus | Croton | Euphorbiaceae | |
| Asperula odorata | Asperula | Rubiaceae |
|
| Populus tomentosa | Populus | Salicaceae |
|
| Litsea konishii | Litsea | Lauraceae | |
| Vepris louisii | Vepris | Rutaceae |
|
| Asperula odora | Asperula | Rubiaceae |
|
| Rheum officinale | Rheum | Polygonaceae |
|
| Alangium platanifolium | Alangium | Cornaceae |
|
| Rheum coreanum | Rheum | Polygonaceae | |
| Rubia cordifolia | Rubia | Rubiaceae |
|
| Rheum palmatum | Rheum | Polygonaceae |
|
| Rubia akane | Rubia | Rubiaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| Morinda citrifolia | Morinda | Rubiaceae |
|
| Rheum tanguticum | Rheum | Polygonaceae |
|
| Lychnophora columnaris | Lychnophora | Asteraceae |
Ingredient ID: NPC289883
Formula: C15H10O2
Ingredient ID: NPC289883
| Common Name | Tectoquinone |
| IUPAC Name | 2-methylanthracene-9,10-dione |
| Canonical SMILES | Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1 |
| Standard InCHI | InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3 |
| Standard InCHIKey | NJWGQARXZDRHCD-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 6773 ZINC ID: ZINC000003845299 ChEMBL ID: CHEMBL21745 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC289883] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aeonium cuneatum | Aeonium | Crassulaceae | |
| Lithospermum canescens | Lithospermum | Boraginaceae |
|
| Iris tectorum | Iris | Iridaceae |
|
| Diospyros maritima | Diospyros | Ebenaceae |
|
| Tectona grandis | Tectona | Lamiaceae |
|
| Tetradium ruticarpum | Tetradium | Rutaceae |
|
| Psychotria serpens | Psychotria | Rubiaceae |
|
| Xanthium strumarium | Xanthium | Asteraceae |
|
| Rubia cordifolia | Rubia | Rubiaceae |
|
| Lygodium flexuosum | Lygodium | Lygodiaceae |
|
| Clausena heptaphylla | Clausena | Rutaceae |
|
| Rhinacanthus nasutus | Rhinacanthus | Acanthaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| barleria alluaudii | Barleria | Acanthaceae | |
| Gynochthodes umbellata | Gynochthodes | Rubiaceae | |
| Lippia sidoides | Lippia | Verbenaceae | |
| Tabebuia avellanedae | Tabebuia | Bignoniaceae |
|
Ingredient ID: NPC160777
Formula: C15H10O4
Ingredient ID: NPC160777
| Common Name | n.a. |
| IUPAC Name | 2-hydroxy-1-methoxyanthracene-9,10-dione |
| Canonical SMILES | COc1c(O)ccc2c1C(=O)c1c(C2=O)cccc1 |
| Standard InCHI | InChI=1S/C15H10O4/c1-19-15-11(16)7-6-10-12(15)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,16H,1H3 |
| Standard InCHIKey | VRGZEPNGEFBVIZ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 80309 ZINC ID: ZINC000005732306 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC160777] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Croton penduliflorus | Croton | Euphorbiaceae | |
| Populus tomentosa | Populus | Salicaceae |
|
| Litsea konishii | Litsea | Lauraceae | |
| Vepris louisii | Vepris | Rutaceae |
|
| Asperula odora | Asperula | Rubiaceae |
|
| Alangium platanifolium | Alangium | Cornaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| Morinda citrifolia | Morinda | Rubiaceae |
|
| Lychnophora columnaris | Lychnophora | Asteraceae |
Ingredient ID: NPC142956
Formula: C15H10O3
Ingredient ID: NPC142956
| Common Name | 1-Hydroxy-2-Methyl-Anthraquinone |
| IUPAC Name | 1-hydroxy-2-methylanthracene-9,10-dione |
| Canonical SMILES | O=C1c2ccccc2C(=O)c2c1ccc(c2O)C |
| Standard InCHI | InChI=1S/C15H10O3/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3 |
| Standard InCHIKey | CZODYZFOLUNSFR-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 160817 ZINC ID: ZINC000004783164 ChEMBL ID: CHEMBL42302 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC142956] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gynochthodes parvifolia | Gynochthodes | Rubiaceae |
|
| Rubia yunnanensis | Rubia | Rubiaceae |
|
| Rubia cordifolia | Rubia | Rubiaceae |
|
| Gynochthodes officinalis | Gynochthodes | Rubiaceae | |
| Rubia akane | Rubia | Rubiaceae |
|
| Rubia wallichiana | Rubia | Rubiaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| Morinda officinalis | Morinda | Rubiaceae | |
| Gynochthodes umbellata | Gynochthodes | Rubiaceae |
Ingredient ID: NPC120545
Formula: C14H8O3
Ingredient ID: NPC120545
| Common Name | n.a. |
| IUPAC Name | 2-hydroxyanthracene-9,10-dione |
| Canonical SMILES | Oc1ccc2c(c1)C(=O)c1c(C2=O)cccc1 |
| Standard InCHI | InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H |
| Standard InCHIKey | GCDBEYOJCZLKMC-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 11796 ZINC ID: ZINC000003896782 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC120545] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Senna occidentalis | Senna | Fabaceae |
|
| Croton penduliflorus | Croton | Euphorbiaceae | |
| Populus tomentosa | Populus | Salicaceae |
|
| Litsea konishii | Litsea | Lauraceae | |
| Vepris louisii | Vepris | Rutaceae |
|
| Asperula odora | Asperula | Rubiaceae |
|
| Alangium platanifolium | Alangium | Cornaceae |
|
| Gynochthodes officinalis | Gynochthodes | Rubiaceae | |
| Cassia occidentalis | Cassia | Fabaceae |
|
| Morinda umbellata | Morinda | Rubiaceae |
|
| Morinda officinalis | Morinda | Rubiaceae | |
| Gynochthodes umbellata | Gynochthodes | Rubiaceae | |
| Lychnophora columnaris | Lychnophora | Asteraceae |
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC120545 | C14H8O3 | 224.0473441 | -0.9879 | 2.67 | 2.689 | 2 | 1 | 54.37 | 1 | 3 | 17 | 0 | |
| NPC142956 | C15H10O3 | 1-Hydroxy-2-Methyl-Anthraquinone | 238.06 | -0.3459 | 2.78 | 2.801 | 2 | 1 | 54.37 | 2 | 3 | 18 | 0 |
| NPC160777 | C15H10O4 | 254.0579088 | -1.0397 | 2.67 | 2.245 | 2 | 1 | 63.6 | 3 | 3 | 19 | 0 | |
| NPC289883 | C15H10O2 | Tectoquinone | 222.07 | 0.1144 | 2.89 | 4.397 | 2 | 0 | 34.14 | 1 | 3 | 17 | 0 |
| NPC294226 | C14H8O4 | Athraquinones A | 240.04 | -1.4482 | 2.56 | 2.155 | 2 | 2 | 74.6 | 2 | 3 | 18 | 0 |
| NPC44437 | C14H8O4 | Xanthopurpurin | 240.04 | -1.4482 | 2.56 | 1.726 | 2 | 2 | 74.6 | 2 | 3 | 18 | 0 |
| NPC53206 | C15H10O4 | Rubiadin | 254.06 | -0.8062 | 2.67 | 1.838 | 2 | 2 | 74.6 | 3 | 3 | 19 | 0 |
| NPC57552 | C16H12O3 | 252.0786442 | 0.0626 | 2.89 | 3.32 | 2 | 0 | 43.37 | 3 | 3 | 19 | 0 | |
| NPC73416 | C15H10O4 | 1-Hydroxy-2-Methoxyanthracene-9,10-Dione | 254.06 | -1.0397 | 2.67 | 2.245 | 2 | 1 | 63.6 | 3 | 3 | 19 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
