8 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: NPC62138
Formula: C15H14O3
Ingredient ID: NPC62138
| Common Name | (2S,3R)-2,3-Epoxy-2,3-Dihydrolapachol |
| IUPAC Name | (1aS,7aR)-1a-(3-methylbut-2-enyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione |
| Canonical SMILES | CC(=CC[C@]12O[C@H]1C(=O)c1c(C2=O)cccc1)C |
| Standard InCHI | InChI=1S/C15H14O3/c1-9(2)7-8-15-13(17)11-6-4-3-5-10(11)12(16)14(15)18-15/h3-7,14H,8H2,1-2H3/t14-,15+/m0/s1 |
| Standard InCHIKey | AJPHRWUGXPZXBM-LSDHHAIUSA-N |
| Ingredient External Links |
PubChem CID: 70691962 ChEMBL ID: CHEMBL2023566 |
| Plant-Ingredient Association Reference |
PMID: 22313254 Database: NPASS [NPC62138] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Diospyros maritima | Diospyros | Ebenaceae |
 |
| barleria alluaudii | Barleria | Acanthaceae |
Ingredient ID: NPC58685
Formula: C24H18O6
Ingredient ID: NPC58685
| Common Name | n.a. |
| IUPAC Name | 5-hydroxy-6-[1-(1-hydroxy-6-methyl-5,8-dioxonaphthalen-2-yl)ethyl]-2-methylnaphthalene-1,4-dione |
| Canonical SMILES | CC(c1ccc2c(c1O)C(=O)C=C(C2=O)C)c1ccc2c(c1O)C(=O)C=C(C2=O)C |
| Standard InCHI | InChI=1S/C24H18O6/c1-10-8-17(25)19-15(21(10)27)6-4-13(23(19)29)12(3)14-5-7-16-20(24(14)30)18(26)9-11(2)22(16)28/h4-9,12,29-30H,1-3H3 |
| Standard InCHIKey | QIJWTOJFMIXPTB-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 14163338 |
| Plant-Ingredient Association Reference |
PMID: 22313254 Database: NPASS [NPC58685] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Diospyros maritima | Diospyros | Ebenaceae |
|
| barleria alluaudii | Barleria | Acanthaceae |
Ingredient ID: NPC55949
Formula: C22H14O6
Ingredient ID: NPC55949
| Common Name | Elliptinone |
| IUPAC Name | 5-hydroxy-6-(1-hydroxy-6-methyl-5,8-dioxonaphthalen-2-yl)-2-methylnaphthalene-1,4-dione |
| Canonical SMILES | O=C1C=C(C)C(=O)c2c1c(O)c(cc2)c1ccc2c(c1O)C(=O)C=C(C2=O)C |
| Standard InCHI | InChI=1S/C22H14O6/c1-9-7-15(23)17-13(19(9)25)5-3-11(21(17)27)12-4-6-14-18(22(12)28)16(24)8-10(2)20(14)26/h3-8,27-28H,1-2H3 |
| Standard InCHIKey | TXVAHWOABLOYCD-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 146680 ChEMBL ID: CHEMBL2023568 |
| Plant-Ingredient Association Reference |
PMID: 22313254 Database: NPASS [NPC55949] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
 |
| Diospyros maritima | Diospyros | Ebenaceae |
|
| Diospyros kaki | Diospyros | Ebenaceae |
 |
| barleria alluaudii | Barleria | Acanthaceae |
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 |
PMID: 22313254 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: NPC285829
Formula: C11H8O3
Ingredient ID: NPC285829
| Common Name | Plumbagin |
| IUPAC Name | 5-hydroxy-2-methylnaphthalene-1,4-dione |
| Canonical SMILES | CC1=CC(=O)c2c(C1=O)cccc2O |
| Standard InCHI | InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3 |
| Standard InCHIKey | VCMMXZQDRFWYSE-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 10205 ZINC ID: ZINC000000058187 ChEMBL ID: CHEMBL295316 |
| Plant-Ingredient Association Reference |
PMID: 22313254 Database: NPASS [NPC285829] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Diospyros maritima | Diospyros | Ebenaceae |
|
| Plumbago indica | Plumbago | Plumbaginaceae |
|
| Euphorbia pekinensis | Euphorbia | Euphorbiaceae |
|
| Juglans regia | Juglans | Juglandaceae |
 |
| Plumbago europaea | Plumbago | Plumbaginaceae |
|
| Plumbagella micrantha | Plumbagella | Plumbaginaceae |
|
| Nepenthes thorelii | Nepenthes | Nepenthaceae | |
| Juglans nigra | Juglans | Juglandaceae |
|
| barleria alluaudii | Barleria | Acanthaceae | |
| Aconitum burnatii | Aconitum | Ranunculaceae |
Ingredient ID: NPC244699
Formula: C22H14O6
Ingredient ID: NPC244699
| Common Name | Maritinone |
| IUPAC Name | 5-hydroxy-8-(4-hydroxy-7-methyl-5,8-dioxonaphthalen-1-yl)-2-methylnaphthalene-1,4-dione |
| Canonical SMILES | CC1=CC(=O)c2c(C1=O)c(ccc2O)c1ccc(c2c1C(=O)C(=CC2=O)C)O |
| Standard InCHI | InChI=1S/C22H14O6/c1-9-7-15(25)19-13(23)5-3-11(17(19)21(9)27)12-4-6-14(24)20-16(26)8-10(2)22(28)18(12)20/h3-8,23-24H,1-2H3 |
| Standard InCHIKey | XCRMWTKECYDCOD-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 633024 ChEMBL ID: CHEMBL512154 |
| Plant-Ingredient Association Reference |
PMID: 22313254 Database: NPASS [NPC244699] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Diospyros maritima | Diospyros | Ebenaceae |
|
| Diospyros kaki | Diospyros | Ebenaceae |
|
| barleria alluaudii | Barleria | Acanthaceae | |
| Aconitum burnatii | Aconitum | Ranunculaceae |
Ingredient ID: NPC234890
Formula: C11H12O3
Ingredient ID: NPC234890
| Common Name | n.a. |
| IUPAC Name | (3R,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one |
| Canonical SMILES | C[C@@H]1CC(=O)c2c([C@@H]1O)cccc2O |
| Standard InCHI | InChI=1S/C11H12O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,11-12,14H,5H2,1H3/t6-,11-/m1/s1 |
| Standard InCHIKey | YUPNHTWYVBHLMG-KSBSHMNSSA-N |
| Ingredient External Links |
PubChem CID: 443777 ZINC ID: ZINC000004654690 |
| Plant-Ingredient Association Reference |
PMID: 22313254 Database: NPASS [NPC234890] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Diospyros maritima | Diospyros | Ebenaceae |
|
| Diospyros kaki | Diospyros | Ebenaceae |
|
| barleria alluaudii | Barleria | Acanthaceae |
Ingredient ID: NPC103337
Formula: C15H14O4
Ingredient ID: NPC103337
| Common Name | (2S,3R)-2,3-Epoxy-2,3-Dihydro-8-Hydroxylapacho |
| IUPAC Name | (1aS,7aR)-3-hydroxy-1a-(3-methylbut-2-enyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione |
| Canonical SMILES | CC(=CC[C@]12O[C@H]1C(=O)c1c(C2=O)c(O)ccc1)C |
| Standard InCHI | InChI=1S/C15H14O4/c1-8(2)6-7-15-13(18)11-9(4-3-5-10(11)16)12(17)14(15)19-15/h3-6,14,16H,7H2,1-2H3/t14-,15+/m0/s1 |
| Standard InCHIKey | LFQYQHFKJJMVTR-LSDHHAIUSA-N |
| Ingredient External Links |
PubChem CID: 70685624 ChEMBL ID: CHEMBL2023567 |
| Plant-Ingredient Association Reference |
PMID: 22313254 Database: NPASS [NPC103337] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Diospyros maritima | Diospyros | Ebenaceae |
|
| barleria alluaudii | Barleria | Acanthaceae |
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC103337 | C15H14O4 | (2S,3R)-2,3-Epoxy-2,3-Dihydro-8-Hydroxylapacho | 258.09 | 0.0346 | 2.67 | 1.034 | 3 | 1 | 66.9 | 5 | 3 | 19 | 0 |
| NPC234890 | C11H12O3 | 192.0786442 | -1.0666 | 2.34 | 0.627 | 2 | 2 | 57.53 | 3 | 2 | 14 | 0 | |
| NPC244699 | C22H14O6 | Maritinone | 374.08 | -0.3608 | 3.22 | 0.68 | 4 | 2 | 108.74 | 5 | 4 | 28 | 0 |
| NPC285829 | C11H8O3 | Plumbagin | 188.05 | -0.1804 | 2.34 | 0.756 | 2 | 1 | 54.37 | 2 | 2 | 14 | 0 |
| NPC289883 | C15H10O2 | Tectoquinone | 222.07 | 0.1144 | 2.89 | 4.397 | 2 | 0 | 34.14 | 1 | 3 | 17 | 0 |
| NPC55949 | C22H14O6 | Elliptinone | 374.08 | -0.3608 | 3.22 | 0.68 | 4 | 2 | 108.74 | 5 | 4 | 28 | 0 |
| NPC58685 | C24H18O6 | 402.1103383 | 0.0444 | 3.44 | 1.546 | 4 | 2 | 108.74 | 7 | 4 | 30 | 0 | |
| NPC62138 | C15H14O3 | (2S,3R)-2,3-Epoxy-2,3-Dihydrolapachol | 242.09 | 0.4949 | 2.78 | 2.419 | 3 | 0 | 46.67 | 4 | 3 | 18 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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