13 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.
5 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC98179
Formula: C14H14O4
Ingredient ID: NPC98179
| Common Name | n.a. |
| IUPAC Name | (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C |
| Standard InCHI | InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1 |
| Standard InCHIKey | FWYSBEAFFPBAQU-LBPRGKRZSA-N |
| Ingredient External Links |
PubChem CID: 334704 ZINC ID: ZINC000000051924 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC98179] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hymenidium lindleyanum | Hymenidium | Apiaceae | |
| Angelica gigas | Angelica | Apiaceae |
  |
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Angelica decursiva | Angelica | Apiaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Zanthoxylum spinosum | Zanthoxylum | Rutaceae | |
| Peucedanum japonicum | Peucedanum | Apiaceae |
|
| Saposhnikovia divaricata | Saposhnikovia | Apiaceae |
|
| Peucedanum rubricaule | Peucedanum | Apiaceae |
|
| Hansenia weberbaueriana | Hansenia | Apiaceae | |
| Angelica dahurica | Angelica | Apiaceae |
|
| Anemarrhena asphodeloides | Anemarrhena | Asparagaceae |
|
| Thamnosma rhodesica | Thamnosma | Rutaceae | |
| Angelica acutiloba | Angelica | Apiaceae |
|
| Aegle marmelos | Aegle | Rutaceae |
|
| Broussonetia papyrifera | Broussonetia | Moraceae |
|
| Glehnia littoralis | Glehnia | Apiaceae |
|
| Rosa transmorrisonensis | Rosa | Rosaceae |
Ingredient ID: NPC83421
Formula: C16H16O6
Ingredient ID: NPC83421
| Common Name | n.a. |
| IUPAC Name | 9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)c(OCC(C(O)(C)C)O)c1c(c2)cco1 |
| Standard InCHI | InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3 |
| Standard InCHIKey | FOINLJRVEBYARJ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 328236 |
| Plant-Ingredient Association Reference |
Database: TCMID [27791] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Citrus trifoliata | Citrus | Rutaceae |
|
| Angelica dahurica | Angelica | Apiaceae |
|
| Boenninghausenia albiflora | Boenninghausenia | Rutaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
 |
Ingredient ID: NPC33320
Formula: C12H8O4
Ingredient ID: NPC33320
| Common Name | Methoxsalen |
| IUPAC Name | 9-methoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2oc(=O)ccc2cc2c1occ2 |
| Standard InCHI | InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 |
| Standard InCHIKey | QXKHYNVANLEOEG-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 4114 ZINC ID: ZINC000002548959 ChEMBL ID: CHEMBL416 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC33320] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus krempfii | Pinus | Pinaceae | |
| Dictamnus dasycarpus | Dictamnus | Rutaceae |
|
| Zanthoxylum echinocarpum | Zanthoxylum | Rutaceae |
|
| Salta triflora | Salta | Polygonaceae | |
| Angelica gigas | Angelica | Apiaceae |
|
| Coussarea paniculata | Coussarea | Rubiaceae | |
| Eleutherococcus senticosus | Eleutherococcus | Araliaceae |
|
| Trixis inula | Trixis | Asteraceae | |
| Torilis japonica | Torilis | Apiaceae |
|
| Ambrosia arborescens | Ambrosia | Asteraceae | |
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Esenbeckia hartmanii | Esenbeckia | Rutaceae | |
| Nierembergia hippomanica | Nierembergia | Solanaceae |
|
| Pastinaca sativa | Pastinaca | Apiaceae |
|
| Angelica decursiva | Angelica | Apiaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Cnidium monnieri | Cnidium | Apiaceae |
|
| Heracleum mantegazzianum | Heracleum | Apiaceae |
|
| Niphogeton ternata | Niphogeton | Apiaceae | |
| Macrococculus pomiferus | Macrococculus | Menispermaceae | |
| Zanthoxylum spinosum | Zanthoxylum | Rutaceae | |
| Peucedanum japonicum | Peucedanum | Apiaceae |
|
| Saposhnikovia divaricata | Saposhnikovia | Apiaceae |
|
| Garcinia parvifolia | Garcinia | Clusiaceae |
|
| Angelica keiskei | Angelica | Apiaceae |
|
| Ophioglossum petiolatum | Ophioglossum | Ophioglossaceae | |
| Angelica pubescens | Angelica | Apiaceae |
|
| Heracleum sphondylium | Heracleum | Apiaceae |
|
| Leonurus japonicus | Leonurus | Lamiaceae |
|
| Hymenocallis speciosa | Hymenocallis | Amaryllidaceae | |
| Oyedaea verbesinoides | Oyedaea | Asteraceae | |
| Angelica dahurica | Angelica | Apiaceae |
|
| Hydrocotyle leucocephala | Hydrocotyle | Araliaceae | |
| Pyrola calliantha | Pyrola | Ericaceae |
|
| Lonchocarpus salvadorensis | Lonchocarpus | Fabaceae | |
| Solanum berthaultii | Solanum | Solanaceae |
|
| Schenkia spicata | Schenkia | Gentianaceae |
|
| Cirsium canum | Cirsium | Asteraceae | |
| Cullen corylifolium | Cullen | Fabaceae |
|
| Astragalus zahlbruckneri | Astragalus | Fabaceae | |
| Angelica acutiloba | Angelica | Apiaceae |
|
| Angelica talwaniana | Angelica | Apiaceae | |
| Aralia continentalis | Aralia | Araliaceae |
|
| Trifolium montanum | Trifolium | Fabaceae | |
| Ruta graveolens | Ruta | Rutaceae |
|
| Peucedanum praeruptorum | Peucedanum | Apiaceae |
|
| Ageratina saltillensis | Ageratina | Asteraceae | |
| Ajania fastigiata | Ajania | Asteraceae | |
| Angelica archangelica | Angelica | Apiaceae |
|
| Quercus sessilis | Quercus | Fagaceae | |
| Podocarpus henckelii | Podocarpus | Podocarpaceae | |
| Angelica officinalis | Angelica | Apiaceae |
|
| Ammi majus | Ammi | Apiaceae |
|
| Salvia polystachya | Salvia | Lamiaceae |
|
| Ligularia pleurocaulis | Ligularia | Asteraceae | |
| Antidesma membranaceum | Antidesma | Phyllanthaceae |
|
| Grewia villosa | Grewia | Malvaceae |
|
| Opuntia vulgaris | Opuntia | Cactaceae |
|
| Angelica taiwaniana | Angelica | Apiaceae |
|
| Kniphofia tuckii | Kniphofia | Asphodelaceae | |
| Glehnia littoralis | Glehnia | Apiaceae |
|
| Cnidium monieri | Cnidium | Apiaceae | |
| Piper hancei | Piper | Piperaceae |
|
| Patrinia villosa | Patrinia | Caprifoliaceae |
|
| Acanthus montanus | Acanthus | Acanthaceae |
 |
| Rosa transmorrisonensis | Rosa | Rosaceae | |
| Annona haematantha | Annona | Annonaceae | |
| Salvia lasiantha | Salvia | Lamiaceae |
Ingredient ID: NPC276761
Formula: C20H24O9
Ingredient ID: NPC276761
| Common Name | n.a. |
| IUPAC Name | (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC([C@H]2Oc3c(C2)cc2c(c3)oc(=O)cc2)(C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14+,16-,17+,18-,19+/m1/s1 |
| Standard InCHIKey | HXCGUCZXPFBNRD-NEDVQNLSSA-N |
| Ingredient External Links |
PubChem CID: 216283 ZINC ID: ZINC000031597169 |
| Plant-Ingredient Association Reference |
Database: TCMID [13565] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hymenidium lindleyanum | Hymenidium | Apiaceae | |
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Angelica decursiva | Angelica | Apiaceae |
|
| Zanthoxylum spinosum | Zanthoxylum | Rutaceae | |
| Peucedanum rubricaule | Peucedanum | Apiaceae |
|
| Angelica pubescens | Angelica | Apiaceae |
|
| Hansenia weberbaueriana | Hansenia | Apiaceae | |
| Angelica dahurica | Angelica | Apiaceae |
|
| Ruta graveolens | Ruta | Rutaceae |
|
| Peucedanum praeruptorum | Peucedanum | Apiaceae |
|
| Glehnia littoralis | Glehnia | Apiaceae |
|
Ingredient ID: NPC243509
Formula: C16H14O4
Ingredient ID: NPC243509
| Common Name | Pentosalen |
| IUPAC Name | 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3 |
| Standard InCHIKey | OLOOJGVNMBJLLR-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 10212 ZINC ID: ZINC000000001904 ChEMBL ID: CHEMBL453805 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC243509] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus krempfii | Pinus | Pinaceae | |
| Zanthoxylum echinocarpum | Zanthoxylum | Rutaceae |
|
| Eleutherococcus senticosus | Eleutherococcus | Araliaceae |
|
| Trixis inula | Trixis | Asteraceae | |
| Torilis japonica | Torilis | Apiaceae |
|
| Ambrosia arborescens | Ambrosia | Asteraceae | |
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Sauropus quadrangularis | Sauropus | Phyllanthaceae |
|
| Changium smyrnioides | Changium | Apiaceae |
|
| Angelica decursiva | Angelica | Apiaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Cnidium monnieri | Cnidium | Apiaceae |
|
| Citrus medica | Citrus | Rutaceae |
|
| Heracleum mantegazzianum | Heracleum | Apiaceae |
|
| Niphogeton ternata | Niphogeton | Apiaceae | |
| Macrococculus pomiferus | Macrococculus | Menispermaceae | |
| Citrus wilsonii | Citrus | Rutaceae |
|
| Zanthoxylum spinosum | Zanthoxylum | Rutaceae | |
| Peucedanum japonicum | Peucedanum | Apiaceae |
|
| Saposhnikovia divaricata | Saposhnikovia | Apiaceae |
|
| Peucedanum rubricaule | Peucedanum | Apiaceae |
|
| Spilanthes ocymifolia | Spilanthes | Asteraceae | |
| Vernonia echitifolia | Vernonia | Asteraceae | |
| Juglans regia | Juglans | Juglandaceae |
|
| Eucalyptus exserta | Eucalyptus | Myrtaceae | |
| Inga paterno | Inga | Fabaceae |
|
| Arnica foliosa | Arnica | Asteraceae | |
| Rubus idaeus | Rubus | Rosaceae |
|
| Citrus sinensis | Citrus | Rutaceae |
|
| Garcinia parvifolia | Garcinia | Clusiaceae |
|
| Citrus trifoliata | Citrus | Rutaceae |
|
| Angelica pubescens | Angelica | Apiaceae |
|
| Leonurus japonicus | Leonurus | Lamiaceae |
|
| Hansenia weberbaueriana | Hansenia | Apiaceae | |
| Hansenia forbesii | Hansenia | Apiaceae | |
| Angelica dahurica | Angelica | Apiaceae |
|
| Murraya paniculata | Murraya | Rutaceae |
|
| Citrus maxima | Citrus | Rutaceae |
|
| Schenkia spicata | Schenkia | Gentianaceae |
|
| Cirsium canum | Cirsium | Asteraceae | |
| Thamnosma rhodesica | Thamnosma | Rutaceae | |
| Ostericum grosseserratum | Ostericum | Apiaceae |
|
| Angelica talwaniana | Angelica | Apiaceae | |
| Aralia continentalis | Aralia | Araliaceae |
|
| Orixa japonica | Orixa | Rutaceae |
|
| Angelica furcijuga | Angelica | Apiaceae |
|
| Peucedanum praeruptorum | Peucedanum | Apiaceae |
|
| Citrus natsudaidai | Citrus | Rutaceae |
|
| Phegopteris subaurita | Phegopteris | Thelypteridaceae | |
| Peucedanum ostruthium | Peucedanum | Apiaceae |
|
| Ajania fastigiata | Ajania | Asteraceae | |
| Quercus sessilis | Quercus | Fagaceae | |
| Podocarpus henckelii | Podocarpus | Podocarpaceae | |
| Angelica officinalis | Angelica | Apiaceae |
|
| Citrus aurantium | Citrus | Rutaceae |
|
| Antidesma membranaceum | Antidesma | Phyllanthaceae |
|
| Opuntia vulgaris | Opuntia | Cactaceae |
|
| Angelica taiwaniana | Angelica | Apiaceae |
|
| Kniphofia tuckii | Kniphofia | Asphodelaceae | |
| Glehnia littoralis | Glehnia | Apiaceae |
|
| Cnidium monieri | Cnidium | Apiaceae | |
| Piper hancei | Piper | Piperaceae |
|
| Patrinia villosa | Patrinia | Caprifoliaceae |
|
| Acanthus montanus | Acanthus | Acanthaceae |
|
| Rosa transmorrisonensis | Rosa | Rosaceae | |
| Gardenia jasminoides | Gardenia | Rubiaceae |
|
| Annona haematantha | Annona | Annonaceae | |
| Salvia lasiantha | Salvia | Lamiaceae |
Ingredient ID: NPC23158
Formula: C20H34O
Ingredient ID: NPC23158
| Common Name | n.a. |
| IUPAC Name | (5E)-6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-ol |
| Canonical SMILES | C/C(=CCCC(C1CCC(=CC1)C)(O)C)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C20H34O/c1-16(2)8-6-9-17(3)10-7-15-20(5,21)19-13-11-18(4)12-14-19/h8,10-11,19,21H,6-7,9,12-15H2,1-5H3/b17-10+ |
| Standard InCHIKey | YGPABMQZQTXEOE-LICLKQGHSA-N |
| Ingredient External Links |
PubChem CID: 5317565 |
| Plant-Ingredient Association Reference |
Database: TCMID [8328] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Hypericum japonicum | Hypericum | Hypericaceae |
|
Ingredient ID: NPC220111
Formula: C27H43NO3
Ingredient ID: NPC220111
| Common Name | Imperialine |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C |
| Standard InCHI | InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1 |
| Standard InCHIKey | IQDIERHFZVCNRZ-LRCDAWNTSA-N |
| Ingredient External Links |
PubChem CID: 442977 ZINC ID: ZINC000008214406 ChEMBL ID: CHEMBL1623724 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC220111] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Fritillaria pallidiflora | Fritillaria | Liliaceae |
|
| Fritillaria delavayi | Fritillaria | Liliaceae |
|
| Fritillaria verticillata | Fritillaria | Liliaceae |
|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Fritillaria cirrhosa | Fritillaria | Liliaceae |
|
| Fritillaria prezewalskii | Fritillaria | Liliaceae | |
| Fritillaria unibracteata | Fritillaria | Liliaceae |
|
| Saposhnikovia divaricata | Saposhnikovia | Apiaceae |
|
| Peucedanum rubricaule | Peucedanum | Apiaceae |
|
| Fritillaria walujewii | Fritillaria | Liliaceae |
|
| Fritillaria przewalskii | Fritillaria | Liliaceae |
|
| Fritillaria taipaiensis | Fritillaria | Liliaceae | |
| Murraya paniculata | Murraya | Rutaceae |
|
| Fritillaria thunbergii | Fritillaria | Liliaceae |
|
| Fritillaria ussuriensis | Fritillaria | Liliaceae |
|
| Angelica taiwaniana | Angelica | Apiaceae |
|
Ingredient ID: NPC216092
Formula: C21H22O4
Ingredient ID: NPC216092
| Common Name | 9-[(2E)-3,7-Dimethylocta-2,6-Dienoxy]Furo[3,2-G]Chromen-7-One |
| IUPAC Name | 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one |
| Canonical SMILES | C/C(=CCOc1c2occc2cc2c1oc(=O)cc2)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ |
| Standard InCHIKey | SOVNCTNQAWWYAQ-OQLLNIDSSA-N |
| Ingredient External Links |
PubChem CID: 5317564 ZINC ID: ZINC000002529828 ChEMBL ID: CHEMBL1412710 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC216092] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Artemisia capillaris | Artemisia | Asteraceae |
|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Rosa rugosa | Rosa | Rosaceae |
|
| Citrus medica | Citrus | Rutaceae |
|
| Artemisia scoparia | Artemisia | Asteraceae |
|
| Zingiber officinale | Zingiber | Zingiberaceae |
|
| Angelica dahurica | Angelica | Apiaceae |
|
| Carpesium abrotanoides | Carpesium | Asteraceae |
|
| Origanum vulgare | Origanum | Lamiaceae |
|
| Citrus limon | Citrus | Rutaceae |
|
| Angelica officinalis | Angelica | Apiaceae |
|
| Glehnia littoralis | Glehnia | Apiaceae |
|
Ingredient ID: NPC215722
Formula: C16H14O5
Ingredient ID: NPC215722
| Common Name | n.a. |
| IUPAC Name | 9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)c(OCC(C(=C)C)O)c1c(c2)cco1 |
| Standard InCHI | InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3 |
| Standard InCHIKey | RTUPRHIHXSAWDP-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 148619 |
| Plant-Ingredient Association Reference |
Database: TCMID [11442] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Glycyrrhiza aspera | Glycyrrhiza | Fabaceae |
|
| Angelica dahurica | Angelica | Apiaceae |
|
| Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC211454
Formula: C14H14O5
Ingredient ID: NPC211454
| Common Name | n.a. |
| IUPAC Name | (8S)-8-(1,2-dihydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
| Canonical SMILES | OCC([C@H]1Oc2c(C1)c1oc(=O)ccc1cc2)(O)C |
| Standard InCHI | InChI=1S/C14H14O5/c1-14(17,7-15)11-6-9-10(18-11)4-2-8-3-5-12(16)19-13(8)9/h2-5,11,15,17H,6-7H2,1H3/t11-,14?/m0/s1 |
| Standard InCHIKey | QWQZTILKTKQJTA-ZSOXZCCMSA-N |
| Ingredient External Links |
PubChem CID: 5318019 |
| Plant-Ingredient Association Reference |
Database: TCMID [31087] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
Ingredient ID: NPC194691
Formula: C11H8O4
Ingredient ID: NPC194691
| Common Name | n.a. |
| IUPAC Name | 9-hydroxy-5,6-dihydrofuro[3,2-g]chromen-7-one |
| Canonical SMILES | O=C1CCc2c(O1)c(O)c1c(c2)cco1 |
| Standard InCHI | InChI=1S/C11H8O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h3-5,13H,1-2H2 |
| Standard InCHIKey | PQXZXDMORSYKDE-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 29920867 |
| Plant-Ingredient Association Reference |
Database: TCMID [22759] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Changium smyrnioides | Changium | Apiaceae |
|
| Pastinaca sativa | Pastinaca | Apiaceae |
|
| Cnidium monnieri | Cnidium | Apiaceae |
|
| Peucedanum rubricaule | Peucedanum | Apiaceae |
|
| Citrus trifoliata | Citrus | Rutaceae |
|
| Angelica pubescens | Angelica | Apiaceae |
|
| Heracleum sphondylium | Heracleum | Apiaceae |
|
| Hansenia weberbaueriana | Hansenia | Apiaceae | |
| Angelica dahurica | Angelica | Apiaceae |
|
| Angelica furcijuga | Angelica | Apiaceae |
|
| Angelica archangelica | Angelica | Apiaceae |
|
| Angelica officinalis | Angelica | Apiaceae |
|
| Ammi majus | Ammi | Apiaceae |
|
| Angelica taiwaniana | Angelica | Apiaceae |
|
| Glehnia littoralis | Glehnia | Apiaceae |
|
Ingredient ID: NPC154176
Formula: C15H14O4
Ingredient ID: NPC154176
| Common Name | Xanthoxyletin |
| IUPAC Name | 5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one |
| Canonical SMILES | COc1c2C=CC(Oc2cc2c1ccc(=O)o2)(C)C |
| Standard InCHI | InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3 |
| Standard InCHIKey | JSJIIHRNDMLJGK-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 66548 ZINC ID: ZINC000001668225 ChEMBL ID: CHEMBL501358 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC154176] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Strophanthus eminii | Strophanthus | Apocynaceae |
|
| Moringa oleifera | Moringa | Moringaceae |
|
| Stevia alpina | Stevia | Asteraceae | |
| Citrus hassaku | Citrus | Rutaceae | |
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Pastinaca sativa | Pastinaca | Apiaceae |
|
| Uncaria perrottetii | Uncaria | Rubiaceae |
|
| Chromolaena odorata | Chromolaena | Asteraceae |
|
| Cnidium monnieri | Cnidium | Apiaceae |
|
| Pluchea dioscoridis | Pluchea | Asteraceae |
|
| Peucedanum rubricaule | Peucedanum | Apiaceae |
|
| Ilex affinis | Ilex | Aquifoliaceae |
|
| Citrus tamurana | Citrus | Rutaceae | |
| Anaxagorea clavata | Anaxagorea | Annonaceae | |
| Anagallis arvensis | Anagallis | Primulaceae |
|
| Clausena excavata | Clausena | Rutaceae |
|
| Stenostomum lucidum | Stenostomum | Rubiaceae | |
| Beyeria brevifolia | Beyeria | Euphorbiaceae | |
| Citrus trifoliata | Citrus | Rutaceae |
|
| Clausena harmandiana | Clausena | Rutaceae |
|
| Kaempferia pulchra | Kaempferia | Zingiberaceae |
|
| Pyrola rotundifolia | Pyrola | Ericaceae |
|
| Drosera peltata | Drosera | Droseraceae |
|
| Arnica nevadensis | Arnica | Asteraceae | |
| Hansenia weberbaueriana | Hansenia | Apiaceae | |
| Odixia angusta | Odixia | Asteraceae | |
| Prunus laurocerasus | Prunus | Rosaceae |
|
| Ficus formosana | Ficus | Moraceae |
|
| Dipterocarpus alatus | Dipterocarpus | Dipterocarpaceae |
|
| Echinops amplexicaulis | Echinops | Asteraceae |
|
| Quercus aegilops | Quercus | Fagaceae |
|
| Chloranthus tianmushanensis | Chloranthus | Chloranthaceae | |
| Prosopis glandulosa | Prosopis | Fabaceae |
|
| Aria pallescens | Aria | Rosaceae | |
| Simira eliezeriana | Simira | Rubiaceae | |
| Senecio squalidus | Senecio | Asteraceae |
|
| Araujia sericifera | Araujia | Apocynaceae |
|
| Artemisia monogyna | Artemisia | Asteraceae | |
| Epaltes gariepina | Epaltes | Asteraceae | |
| Seriphidium cinum | Seriphidium | Asteraceae |
|
| Dendrosenecio kilimanjari | Dendrosenecio | Asteraceae | |
| Isodon kameba | Isodon | Lamiaceae |
|
| Pterocarpus grandiflorus | Pterocarpus | Fabaceae | |
| Citrus reticulata | Citrus | Rutaceae |
|
| Chromolaena pulchella | Chromolaena | Asteraceae | |
| Bursaria spinosa | Bursaria | Pittosporaceae |
|
| Taxodium mucronatum | Taxodium | Cupressaceae |
|
| Gardenia fosbergii | Gardenia | Rubiaceae | |
| Vitex madiensis | Vitex | Lamiaceae |
|
| Agnorhiza bolanderi | Agnorhiza | Asteraceae | |
| Sesbania punicea | Sesbania | Fabaceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Asterolasia squamuligera | Asterolasia | Rutaceae | |
| Cinnamomum tenuifolium | Cinnamomum | Lauraceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
| Salvia officinalis | Salvia | Lamiaceae |
|
| Angelica archangelica | Angelica | Apiaceae |
|
| Securidaca inappendiculata | Securidaca | Polygalaceae |
|
| Pteris prolifera | Pteris | Pteridaceae | |
| Angelica taiwaniana | Angelica | Apiaceae |
|
| Citrus junos | Citrus | Rutaceae |
|
Ingredient ID: NPC133704
Formula: C28H37NO9
Ingredient ID: NPC133704
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COC(=O)[C@H]([C@@](C(=O)OC1C(=CC23C1c1cc4OCOc4cc1CCN3CCC2)OC)(CCC(C)C)O)O |
| Standard InCHI | InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3/t22?,23?,24-,27?,28-/m1/s1 |
| Standard InCHIKey | CAOHZEUEVKYHPF-WPXGXWFTSA-N |
| Ingredient External Links |
PubChem CID: 9871679 |
| Plant-Ingredient Association Reference |
Database: TCMID [11446] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Cephalotaxus hainanensis | Cephalotaxus | Taxaceae | |
| Cephalotaxus fortunei | Cephalotaxus | Taxaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC133704 | C28H37NO9 | 531.2468318 | -0.8019 | 3.44 | 2.45 | 8 | 2 | 123.99 | 10 | 5 | 38 | 0 | |
| NPC154176 | C15H14O4 | Xanthoxyletin | 258.09 | 1.126 | 2.67 | 2.488 | 1 | 0 | 44.76 | 4 | 3 | 19 | 0 |
| NPC194691 | C11H8O4 | 9-hydroxy-5,6-dihydrofuro[3,2-g]chromen-7-one | 204.0422587 | -0.6083 | 2.23 | 0.916 | 1 | 1 | 59.67 | 0 | 3 | 15 | 0 |
| NPC211454 | C14H14O5 | (8S)-8-(1,2-dihydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one | 262.0841235 | -0.6265 | 2.45 | 0.961 | 3 | 2 | 75.99 | 2 | 3 | 19 | 0 |
| NPC215722 | C16H14O5 | 9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one | 286.0841235 | 0.6166 | 2.67 | 1.55 | 2 | 1 | 68.9 | 4 | 3 | 21 | 0 |
| NPC216092 | C21H22O4 | 9-[(2E)-3,7-Dimethylocta-2,6-Dienoxy]Furo[3,2-G]Chromen-7-One | 338.15 | 2.7618 | 3.33 | 4.713 | 1 | 0 | 48.67 | 9 | 3 | 25 | 0 |
| NPC220111 | C27H43NO3 | Imperialine | 429.32 | -1.7921 | 3.99 | 4.011 | 4 | 2 | 60.77 | 5 | 6 | 31 | 0 |
| NPC23158 | C20H34O | (5E)-6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-ol | 290.2609657 | 3.9824 | 3.55 | 5.907 | 1 | 1 | 20.23 | 7 | 1 | 21 | 1 |
| NPC243509 | C16H14O4 | Pentosalen | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
| NPC276761 | C20H24O9 | (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one | 408.1420323 | -1.4852 | 2.67 | 0.985 | 7 | 4 | 134.91 | 4 | 4 | 29 | 0 |
| NPC33320 | C12H8O4 | Methoxsalen | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
| NPC83421 | C16H16O6 | 9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one | 304.0946882 | -0.4035 | 2.56 | 1.186 | 3 | 2 | 89.13 | 4 | 3 | 22 | 0 |
| NPC98179 | C14H14O4 | 246.0892089 | 0.2617 | 2.56 | 2.093 | 2 | 1 | 55.76 | 4 | 3 | 18 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
