Ingredient ID: NPC78612
Formula: C13H10O5
Common Name | Pimpinellin |
IUPAC Name | 5,6-dimethoxyfuro[2,3-h]chromen-2-one |
Canonical SMILES | COc1c(OC)c2occc2c2c1ccc(=O)o2 |
Standard InCHI | InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3 |
Standard InCHIKey | BQPRWZCEKZLBHL-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 4825 ZINC ID: ZINC000000898309 ChEMBL ID: CHEMBL1491809 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC78612] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Pinus krempfii | Pinus | Pinaceae | |
Zanthoxylum echinocarpum | Zanthoxylum | Rutaceae | |
Eleutherococcus senticosus | Eleutherococcus | Araliaceae | |
Trixis inula | Trixis | Asteraceae | |
Ambrosia arborescens | Ambrosia | Asteraceae | |
Heracleum maximum | Heracleum | Apiaceae | |
Heracleum mantegazzianum | Heracleum | Apiaceae | |
Pimpinella saxifraga | Pimpinella | Apiaceae | |
Garcinia parvifolia | Garcinia | Clusiaceae | |
Heracleum sphondylium | Heracleum | Apiaceae | |
Hansenia weberbaueriana | Hansenia | Apiaceae | |
Angelica dahurica | Angelica | Apiaceae | |
Heracleum yungningense | Heracleum | Apiaceae | |
Cyperus papyrus | Cyperus | Cyperaceae | |
Citrus reticulata | Citrus | Rutaceae | |
Schenkia spicata | Schenkia | Gentianaceae | |
Pimpinella magna | Pimpinella | Apiaceae | |
Ajania fastigiata | Ajania | Asteraceae | |
Quercus sessilis | Quercus | Fagaceae | |
Stellera chamaejasme | Stellera | Thymelaeaceae | |
Toddalia asiatica | Toddalia | Rutaceae | |
Angelica genuflexa | Angelica | Apiaceae | |
Antidesma membranaceum | Antidesma | Phyllanthaceae | |
Kniphofia tuckii | Kniphofia | Asphodelaceae | |
Patrinia villosa | Patrinia | Caprifoliaceae | |
Acanthus montanus | Acanthus | Acanthaceae | |
Annona haematantha | Annona | Annonaceae |
Ingredient ID: NPC33320
Formula: C12H8O4
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: UNPD [] Database: NPASS [NPC33320] |
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: NPC288254
Formula: C17H26O
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | CCCCCCC/C=C[C@@H](C#CC#CCCC)O |
Standard InCHI | InChI=1S/C17H26O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h14,16-18H,3-7,9-10,12H2,1-2H3/b16-14-/t17-/m1/s1 |
Standard InCHIKey | KIWXXCLBXNHHQU-YHKKIHSWSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD178699] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Pinus krempfii | Pinus | Pinaceae | |
Zanthoxylum echinocarpum | Zanthoxylum | Rutaceae | |
Eleutherococcus senticosus | Eleutherococcus | Araliaceae | |
Trixis inula | Trixis | Asteraceae | |
Ambrosia arborescens | Ambrosia | Asteraceae | |
Heracleum mantegazzianum | Heracleum | Apiaceae | |
Garcinia parvifolia | Garcinia | Clusiaceae | |
Schenkia spicata | Schenkia | Gentianaceae | |
Ajania fastigiata | Ajania | Asteraceae | |
Quercus sessilis | Quercus | Fagaceae | |
Antidesma membranaceum | Antidesma | Phyllanthaceae | |
Kniphofia tuckii | Kniphofia | Asphodelaceae | |
Patrinia villosa | Patrinia | Caprifoliaceae | |
Acanthus montanus | Acanthus | Acanthaceae | |
Annona haematantha | Annona | Annonaceae |
Ingredient ID: NPC27730
Formula: C17H26O
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | CCCCCCC/C=C/[C@@H](C#CC#CCCC)O |
Standard InCHI | InChI=1S/C17H26O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h14,16-18H,3-7,9-10,12H2,1-2H3/b16-14+/t17-/m1/s1 |
Standard InCHIKey | KIWXXCLBXNHHQU-FYPAKXHLSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD185920] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Eleutherococcus senticosus | Eleutherococcus | Araliaceae | |
Ambrosia arborescens | Ambrosia | Asteraceae | |
Heracleum mantegazzianum | Heracleum | Apiaceae | |
Ajania fastigiata | Ajania | Asteraceae | |
Annona haematantha | Annona | Annonaceae |
Ingredient ID: NPC275769
Formula: C14H14O5
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@]([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-SMDDNHRTSA-N |
Ingredient External Links |
ZINC ID: ZINC000015273828 |
Plant-Ingredient Association Reference |
Database: UNPD [] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Eleutherococcus senticosus | Eleutherococcus | Araliaceae | |
Ambrosia arborescens | Ambrosia | Asteraceae | |
Heracleum mantegazzianum | Heracleum | Apiaceae | |
Ajania fastigiata | Ajania | Asteraceae | |
Annona haematantha | Annona | Annonaceae |
Ingredient ID: NPC243509
Formula: C16H14O4
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: UNPD [] Database: NPASS [NPC243509] |
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: NPC234536
Formula: C13H10O5
Common Name | Isopimpinellin |
IUPAC Name | 4,9-dimethoxyfuro[3,2-g]chromen-7-one |
Canonical SMILES | COc1c2ccc(=O)oc2c(c2c1cco2)OC |
Standard InCHI | InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
Standard InCHIKey | DFMAXQKDIGCMTL-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 68079 ZINC ID: ZINC000000314951 ChEMBL ID: CHEMBL140796 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC234536] |
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 | |
Heracleum maximum | Heracleum | Apiaceae | |
Sauropus quadrangularis | Sauropus | Phyllanthaceae | |
Changium smyrnioides | Changium | Apiaceae | |
Angelica decursiva | Angelica | Apiaceae | |
Cnidium monnieri | Cnidium | Apiaceae | |
Espeletiopsis purpurascens | Espeletiopsis | Asteraceae | |
Citrus medica | Citrus | Rutaceae | |
Heracleum mantegazzianum | Heracleum | Apiaceae | |
Niphogeton ternata | Niphogeton | Apiaceae | |
Macrococculus pomiferus | Macrococculus | Menispermaceae | |
Zanthoxylum spinosum | Zanthoxylum | Rutaceae | |
Saposhnikovia divaricata | Saposhnikovia | Apiaceae | |
Selaginella doederleinii hieron | Selaginella | Selaginellaceae | |
Amomum reticulatum | Amomum | Zingiberaceae | |
Spilanthes ocymifolia | Spilanthes | Asteraceae | |
Vernonia echitifolia | Vernonia | Asteraceae | |
Eucalyptus exserta | Eucalyptus | Myrtaceae | |
Inga paterno | Inga | Fabaceae | |
Arnica foliosa | Arnica | Asteraceae | |
Plectranthus hereroensis | Plectranthus | Lamiaceae | |
Garcinia parvifolia | Garcinia | Clusiaceae | |
Angelica keiskei | Angelica | Apiaceae | |
Angelica pubescens | Angelica | Apiaceae | |
Caralluma russeliana | Caralluma | Apocynaceae | |
Dalbergia monetaria | Dalbergia | Fabaceae | |
Leonurus japonicus | Leonurus | Lamiaceae | |
Ursinia anthemoides | Ursinia | Asteraceae | |
Imperata cylindrica | Imperata | Poaceae | |
Polypodium aureum | Polypodium | Polypodiaceae | |
Alpinia officinarum | Alpinia | Zingiberaceae | |
Hansenia weberbaueriana | Hansenia | Apiaceae | |
Casimiroa edulis | Casimiroa | Rutaceae | |
Helianthus californicus | Helianthus | Asteraceae | |
Angelica dahurica | Angelica | Apiaceae | |
Heracleum yungningense | Heracleum | Apiaceae | |
Dysosma pleiantha | Dysosma | Berberidaceae | |
Schenkia spicata | Schenkia | Gentianaceae | |
Cirsium canum | Cirsium | Asteraceae | |
Thamnosma rhodesica | Thamnosma | Rutaceae | |
Ruta graveolens | Ruta | Rutaceae | |
Peucedanum praeruptorum | Peucedanum | Apiaceae | |
Phegopteris subaurita | Phegopteris | Thelypteridaceae | |
Ajania fastigiata | Ajania | Asteraceae | |
Quercus sessilis | Quercus | Fagaceae | |
Podocarpus henckelii | Podocarpus | Podocarpaceae | |
Stellera chamaejasme | Stellera | Thymelaeaceae | |
Toddalia asiatica | Toddalia | Rutaceae | |
Spiraea prunifolia | Spiraea | Rosaceae | |
Antidesma membranaceum | Antidesma | Phyllanthaceae | |
Vitex agnus-castus | Vitex | Lamiaceae | |
Opuntia vulgaris | Opuntia | Cactaceae | |
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 | |
Zanthoxylum nitidum | Zanthoxylum | Rutaceae | |
Salvia lasiantha | Salvia | Lamiaceae |
Ingredient ID: NPC210460
Formula: C17H16O5
Common Name | Phellopterin |
IUPAC Name | 4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
Canonical SMILES | COc1c2ccoc2c(c2c1ccc(=O)o2)OCC=C(C)C |
Standard InCHI | InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3 |
Standard InCHIKey | BMLZFLQMBMYVHG-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 98608 ZINC ID: ZINC000001559986 ChEMBL ID: CHEMBL452751 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC210460] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Eleutherococcus senticosus | Eleutherococcus | Araliaceae | |
Ambrosia arborescens | Ambrosia | Asteraceae | |
Changium smyrnioides | Changium | Apiaceae | |
Espeletiopsis purpurascens | Espeletiopsis | Asteraceae | |
Heracleum mantegazzianum | Heracleum | Apiaceae | |
Macrococculus pomiferus | Macrococculus | Menispermaceae | |
Saposhnikovia divaricata | Saposhnikovia | Apiaceae | |
Amomum reticulatum | Amomum | Zingiberaceae | |
Plectranthus hereroensis | Plectranthus | Lamiaceae | |
Phellodendron chinense | Phellodendron | Rutaceae | |
Caralluma russeliana | Caralluma | Apocynaceae | |
Dalbergia monetaria | Dalbergia | Fabaceae | |
Ursinia anthemoides | Ursinia | Asteraceae | |
Imperata cylindrica | Imperata | Poaceae | |
Polypodium aureum | Polypodium | Polypodiaceae | |
Alpinia officinarum | Alpinia | Zingiberaceae | |
Hansenia weberbaueriana | Hansenia | Apiaceae | |
Casimiroa edulis | Casimiroa | Rutaceae | |
Helianthus californicus | Helianthus | Asteraceae | |
Phellodendron amurense | Phellodendron | Rutaceae | |
Hansenia forbesii | Hansenia | Apiaceae | |
Angelica dahurica | Angelica | Apiaceae | |
Ostericum grosseserratum | Ostericum | Apiaceae | |
Ajania fastigiata | Ajania | Asteraceae | |
Toddalia asiatica | Toddalia | Rutaceae | |
Spiraea prunifolia | Spiraea | Rosaceae | |
Angelica taiwaniana | Angelica | Apiaceae | |
Glehnia littoralis | Glehnia | Apiaceae | |
Annona haematantha | Annona | Annonaceae | |
Zanthoxylum nitidum | Zanthoxylum | Rutaceae |
Ingredient ID: NPC115776
Formula: C17H24O
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | CCCCCCC/C=C/[C@@H](C#CC#C/C=CC)O |
Standard InCHI | InChI=1S/C17H24O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h4,6,14,16-18H,3,5,7,9-10,12H2,1-2H3/b6-4-,16-14+/t17-/m1/s1 |
Standard InCHIKey | VYFQRHHQNNXVTJ-DRMIUQBLSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD107523] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Eleutherococcus senticosus | Eleutherococcus | Araliaceae | |
Ambrosia arborescens | Ambrosia | Asteraceae | |
Heracleum mantegazzianum | Heracleum | Apiaceae | |
Ajania fastigiata | Ajania | Asteraceae | |
Annona haematantha | Annona | Annonaceae |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC115776 | C17H24O | 244.1827154 | 0.9121 | 3.22 | 6.365 | 1 | 1 | 20.23 | 7 | 0 | 18 | 1 | |
NPC210460 | C17H16O5 | Phellopterin | 300.1 | 1.4778 | 2.78 | 2.447 | 1 | 0 | 57.9 | 7 | 3 | 22 | 0 |
NPC234536 | C13H10O5 | Isopimpinellin | 246.05 | 0.0123 | 2.34 | 1.246 | 1 | 0 | 57.9 | 4 | 3 | 18 | 0 |
NPC243509 | C16H14O4 | Pentosalen | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
NPC275769 | C14H14O5 | 262.0841235 | -0.6265 | 2.45 | 0.961 | 3 | 2 | 75.99 | 2 | 3 | 19 | 0 | |
NPC27730 | C17H26O | 246.1983655 | -0.1695 | 3.22 | 6.374 | 1 | 1 | 20.23 | 8 | 0 | 18 | 1 | |
NPC288254 | C17H26O | 246.1983655 | -0.1695 | 3.22 | 6.374 | 1 | 1 | 20.23 | 8 | 0 | 18 | 1 | |
NPC33320 | C12H8O4 | Methoxsalen | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
NPC78612 | C13H10O5 | Pimpinellin | 246.05 | 0.0123 | 2.34 | 1.246 | 1 | 0 | 57.9 | 4 | 3 | 18 | 0 |