22 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.
10 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC87466
Formula: C20H26O2
Ingredient ID: NPC87466
| Common Name | Hedychenone |
| IUPAC Name | (4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one |
| Canonical SMILES | CC1=CC(=O)[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1 |
| Standard InCHIKey | MXTCKNHXBBXULO-ZJDHVTHPSA-N |
| Ingredient External Links |
PubChem CID: 12067184 ChEMBL ID: CHEMBL450467 |
| Plant-Ingredient Association Reference |
PMID: 19332371 Database: NPASS [NPC87466] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Kiggelaria africana | Kiggelaria | Achariaceae | |
| Hedera helix | Hedera | Araliaceae |
 |
| Eleutherococcus senticosus | Eleutherococcus | Araliaceae |
 |
| Perymenium jelskii | Perymenium | Asteraceae | |
| Rhamnus formosana | Rhamnus | Rhamnaceae | |
| Hedychium spicatum | Hedychium | Zingiberaceae |
 |
| Guadua angustifolia | Guadua | Poaceae | |
| Hedychium yunnanense | Hedychium | Zingiberaceae | |
| Senna didymobotrya | Senna | Fabaceae |
|
| Phenax angustifolius | Phenax | Urticaceae | |
| Prunus mahaleb | Prunus | Rosaceae |
|
| Potentilla candicans | Potentilla | Rosaceae | |
| Gaertnera morindoides | Gaertnera | Rubiaceae | |
| Celastrus dispermus | Celastrus | Celastraceae | |
| Viburnum betulifolium | Viburnum | Adoxaceae | |
| Cerbera odollam | Cerbera | Apocynaceae | |
| Coelogyne flavida | Coelogyne | Orchidaceae | |
| Lupinus luteus | Lupinus | Fabaceae |
 |
| Hedychium coronarium | Hedychium | Zingiberaceae |
|
| Aquilegia viridiflora | Aquilegia | Ranunculaceae | |
| Trichilia havanensis | Trichilia | Meliaceae | |
| Senecio ruwenzoriensis | Senecio | Asteraceae | |
| Strychnos elaeocarpa | Strychnos | Loganiaceae | |
| Tripterospermum lanceolatum | Tripterospermum | Gentianaceae | |
| Acacia linarioides | Acacia | Fabaceae | |
| Rhamnus cathartica | Rhamnus | Rhamnaceae |
|
| Strychnos wallichiana | Strychnos | Loganiaceae | |
| Brombya platynema | Brombya | Rutaceae | |
| Piptadenia colubrina | Piptadenia | Fabaceae | |
| Jaborosa leucotricha | Jaborosa | Solanaceae | |
| Astragalus kabadianus | Astragalus | Fabaceae | |
| Spiraea formosana | Spiraea | Rosaceae | |
| Cichorium endivia | Cichorium | Asteraceae |
|
| Daphne arisanensis | Daphne | Thymelaeaceae | |
| Lippia adoensis | Lippia | Verbenaceae |
|
| Clinopodium gracile | Clinopodium | Lamiaceae | |
| Guettarda noumeana | Guettarda | Rubiaceae | |
| Veronica liwanensis | Veronica | Plantaginaceae | |
| Homalium longifolium | Homalium | Salicaceae | |
| Vachellia leucophloea | Vachellia | Fabaceae |
|
Ingredient ID: NPC78540
Formula: C15H10O4
Ingredient ID: NPC78540
| Common Name | Chrysin |
| IUPAC Name | 5,7-dihydroxy-2-phenylchromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H |
| Standard InCHIKey | RTIXKCRFFJGDFG-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5281607 ZINC ID: ZINC000003872070 ChEMBL ID: CHEMBL117 |
| Plant-Ingredient Association Reference |
PMID: 19782567 Database: NPASS [NPC78540] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Abies pinsapo var. marocana | Abies | Pinaceae | |
| Garcinia cambogia | Garcinia | Clusiaceae |
|
| Eriodictyon californicum | Eriodictyon | Namaceae |
|
| Petasites laevigatus | Petasites | Asteraceae |
|
| Sphaeranthus confertifolius | Sphaeranthus | Asteraceae | |
| Euphrasia stricta | Euphrasia | Orobanchaceae | |
| Ornithoglossum viride | Ornithoglossum | Colchicaceae | |
| Schizanthus tricolor | Schizanthus | Solanaceae | |
| Anodendron affine | Anodendron | Apocynaceae |
|
| Euphrasia genargentea | Euphrasia | Orobanchaceae | |
| Hertia cheirifolia | Hertia | Asteraceae | |
| Cedrela salvadorensis | Cedrela | Meliaceae | |
| Phagnalon rupestre | Phagnalon | Asteraceae |
|
| Crambe hispanica subsp. abyssinica | Crambe | Brassicaceae |
|
| Xanthorhiza simplicissima | Xanthorhiza | Ranunculaceae |
|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Prunus persica | Prunus | Rosaceae |
|
| Lonicera japonica | Lonicera | Caprifoliaceae |
|
| Utricularia vulgaris | Utricularia | Lentibulariaceae |
|
| Chrysanthemum uliginosum | Chrysanthemum | Asteraceae | |
| Pseudotsuga sinensis var. wilsoniana | Pseudotsuga | Pinaceae | |
| Helichrysum lindleyi | Helichrysum | Asteraceae | |
| Dalbergia nitidula | Dalbergia | Fabaceae |
|
| Elsholtzia bodinieri | Elsholtzia | Lamiaceae |
|
| Piliostigma thonningii | Piliostigma | Fabaceae |
|
| Stizophyllum riparium | Stizophyllum | Bignoniaceae | |
| Aconitum contortum | Aconitum | Ranunculaceae | |
| Maprounea guianensis | Maprounea | Euphorbiaceae | |
| Uvaria lucida | Uvaria | Annonaceae |
|
| Conyza japonica | Conyza | Asteraceae |
|
| Rhododendron dauricum | Rhododendron | Ericaceae |
|
| Neolitsea villosa | Neolitsea | Lauraceae | |
| Lebeckia plukenetiana | Lebeckia | Fabaceae | |
| Dactylorhiza viridis | Dactylorhiza | Orchidaceae | |
| Pterolobium hexapetalum | Pterolobium | Fabaceae |
|
| Crinum giganteum | Crinum | Amaryllidaceae | |
| Dendrobium candidum | Dendrobium | Orchidaceae | |
| Saussurea salicifolia | Saussurea | Asteraceae | |
| Alpinia oxyphylla | Alpinia | Zingiberaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Callistemon coccineus | Callistemon | Myrtaceae | |
| Justicia betonica | Justicia | Acanthaceae |
|
| Hypericum reptans | Hypericum | Hypericaceae | |
| Uncaria africana | Uncaria | Rubiaceae |
|
| Strychnos amazonica | Strychnos | Loganiaceae |
|
| Erysimum siliculosum | Erysimum | Brassicaceae | |
| Alpinia zerumbet | Alpinia | Zingiberaceae |
|
| Escontria chiotilla | Escontria | Cactaceae |
|
| Rubus laciniatus | Rubus | Rosaceae |
|
| Buglossoides arvensis | Buglossoides | Boraginaceae |
|
| Eucryphia cordifolia | Eucryphia | Cunoniaceae | |
| Buxus hildebrandtii | Buxus | Buxaceae | |
| Drypetes tessmanniana | Drypetes | Putranjivaceae | |
| Pteryxia terebinthina | Pteryxia | Apiaceae | |
| Gratiola officinalis | Gratiola | Plantaginaceae |
|
| Diplopterygium glaucum | Diplopterygium | Gleicheniaceae | |
| Rhizophora tagal | Rhizophora | Rhizophoraceae | |
| Salvia lavandulifolia | Salvia | Lamiaceae |
|
| Echinacea simulata | Echinacea | Asteraceae | |
| Thermopsis mollis | Thermopsis | Fabaceae | |
| Cotinus coggygria | Cotinus | Anacardiaceae |
|
| Grindelia discoidea | Grindelia | Asteraceae | |
| Eremurus chinensis | Eremurus | Asphodelaceae | |
| Pachygone dasycarpa | Pachygone | Menispermaceae | |
| Croton geayi | Croton | Euphorbiaceae | |
| Callicarpa acuminata | Callicarpa | Lamiaceae |
|
| Ageratum mexicanum | Ageratum | Asteraceae | |
| Petunia nyctaginiflora | Petunia | Solanaceae |
|
| Arnica parryi | Arnica | Asteraceae | |
| Kalanchoe spathulata | Kalanchoe | Crassulaceae |
|
| Vincetoxicum amplexicaule | Vincetoxicum | Apocynaceae | |
| Cyperus pilosus | Cyperus | Cyperaceae |
|
| Maytenus chuchuhuasha | Maytenus | Celastraceae | |
| Kniphofia foliosa | Kniphofia | Asphodelaceae |
|
| Crinum latifolium | Crinum | Amaryllidaceae |
|
| Oxytropis falcata | Oxytropis | Fabaceae | |
| Mimusops laurifolia | Mimusops | Sapotaceae |
|
| Salvia pisidica | Salvia | Lamiaceae |
|
| Pentachondra pumila | Pentachondra | Ericaceae |
|
| Ursinia speciosa | Ursinia | Asteraceae | |
| Anacyclus pyrethrum | Anacyclus | Asteraceae |
|
| Brachylaena perrieri | Brachylaena | Asteraceae | |
| Diplotropis ferruginea | Diplotropis | Fabaceae | |
| Viguiera pinnatilobata | Viguiera | Asteraceae | |
| Phlomis ostrowskiana | Phlomis | Lamiaceae | |
| Uncaria longiflora | Uncaria | Rubiaceae |
|
| Pimpinella peregrina | Pimpinella | Apiaceae |
|
| Medicosma fareana | Medicosma | Rutaceae | |
| Solanum crinitum | Solanum | Solanaceae | |
| Mentha sylvestris | Mentha | Lamiaceae |
|
| Euphrasia regelii | Euphrasia | Orobanchaceae |
|
| Hortonia angustifolia | Hortonia | Monimiaceae | |
| Julbernardia globifera | Julbernardia | Fabaceae | |
| Oroxylum indicum | Oroxylum | Bignoniaceae |
|
| Phlox decussata | Phlox | Polemoniaceae | |
| Tubocapsicum anomalum | Tubocapsicum | Solanaceae |
|
| Cuscuta australis | Cuscuta | Convolvulaceae |
|
| Aster tataricus | Aster | Asteraceae |
|
| Salvia lanigera | Salvia | Lamiaceae |
|
| Othonna macrophylla | Othonna | Asteraceae | |
| Miliusa balansae | Miliusa | Annonaceae | |
| Eucalyptus viminalis | Eucalyptus | Myrtaceae |
|
| Laggera pterodonta | Laggera | Asteraceae |
|
| Acronychia haplophylla | Acronychia | Rutaceae |
|
| Salix petiolaris | Salix | Salicaceae | |
| Scutellaria baicalensis | Scutellaria | Lamiaceae |
|
| Pinus monticola | Pinus | Pinaceae |
|
| Myrrhis odorata | Myrrhis | Apiaceae |
|
| Angelica acutiloba | Angelica | Apiaceae |
|
| Pinus excelsa | Pinus | Pinaceae |
|
| Alstonia spectabilis | Alstonia | Apocynaceae |
|
| Chrysanthemum morifolium | Chrysanthemum | Asteraceae |
|
| Solanum lanceolatum | Solanum | Solanaceae |
|
| Bryonia alba | Bryonia | Cucurbitaceae |
|
| Alnus cordata | Alnus | Betulaceae |
|
| Rheedia acuminata | Rheedia | Clusiaceae |
|
| Acacia aulacocarpa | Acacia | Fabaceae | |
| Viburnum erubescens | Viburnum | Adoxaceae |
|
| Aspidosperma subincanum | Aspidosperma | Apocynaceae |
|
| Securigera securidaca | Securigera | Fabaceae | |
| Parinari campestris | Parinari | Chrysobalanaceae |
|
| Hypericum perforatum | Hypericum | Hypericaceae |
|
| Remirea maritima | Remirea | Cyperaceae | |
| Aloe deltoideodonta | Aloe | Asphodelaceae | |
| Ardisia neriifolia | Ardisia | Primulaceae | |
| Psiadia dentata | Psiadia | Asteraceae | |
| Arnica mollis | Arnica | Asteraceae | |
| Physocarpus intermedius | Physocarpus | Rosaceae | |
| Peritassa compta | Peritassa | Celastraceae | |
| Eupatorium argentinum | Eupatorium | Asteraceae | |
| Rubia tetragona | Rubia | Rubiaceae | |
| Croton gratissimus | Croton | Euphorbiaceae |
|
| Bauhinia purpurea | Bauhinia | Fabaceae |
|
| Wikstroemia viridiflora | Wikstroemia | Thymelaeaceae |
|
| Brassica carinata | Brassica | Brassicaceae |
|
| Cryptocarya aschersoniana | Cryptocarya | Lauraceae | |
| Juniperus brevifolia | Juniperus | Cupressaceae | |
| Camchaya loloana | Camchaya | Asteraceae | |
| Ranunculus asiaticus | Ranunculus | Ranunculaceae | |
| Eurycoma harmandiana | Eurycoma | Simaroubaceae |
|
| Saraca asoca | Saraca | Fabaceae |
|
| Eucalyptus resinifera | Eucalyptus | Myrtaceae |
|
| Ormosia hosiei | Ormosia | Fabaceae |
|
| Guatteria boliviana | Guatteria | Annonaceae | |
| Elettaria cardamomum | Elettaria | Zingiberaceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Peritassa campestris | Peritassa | Celastraceae |
|
| Lepechinia caulescens | Lepechinia | Lamiaceae |
|
| Leitneria floridana | Leitneria | Simaroubaceae | |
| Carpha glomerata | Carpha | Cyperaceae | |
| Anemone flaccida | Anemone | Ranunculaceae |
|
| Cyanostegia angustifolia | Cyanostegia | Lamiaceae | |
| Kaempferia rotunda | Kaempferia | Zingiberaceae |
|
| Notholaena aschenborniana | Notholaena | Pteridaceae | |
| Orthosiphon spicatus | Orthosiphon | Lamiaceae |
|
| Scutellaria lateriflora | Scutellaria | Lamiaceae | |
| Licaria chrysophylla | Licaria | Lauraceae | |
| Lysimachia fordiana | Lysimachia | Primulaceae | |
| Ampelocera edentula | Ampelocera | Ulmaceae | |
| Ixeris debilis | Ixeris | Asteraceae | |
| Abies excelsa | Abies | Pinaceae |
Ingredient ID: NPC476346
Formula: C17H24O3
Ingredient ID: NPC476346
| Common Name | Spicatanoic Acid |
| IUPAC Name | (E)-3-[(1S,4aS,8aR)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/[C@H]1C(=CC(=O)[C@@H]2[C@]1(C)CCCC2(C)C)C |
| Standard InCHI | InChI=1S/C17H24O3/c1-11-10-13(18)15-16(2,3)8-5-9-17(15,4)12(11)6-7-14(19)20/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,19,20)/b7-6+/t12-,15-,17+/m0/s1 |
| Standard InCHIKey | VJFQWFRGXBGQMI-ZPOPHIPLSA-N |
| Ingredient External Links |
PubChem CID: 45482811 ChEMBL ID: CHEMBL573722 |
| Plant-Ingredient Association Reference |
PMID: 19782567 Database: NPASS [NPC476346] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC474396
Formula: C20H30O3
Ingredient ID: NPC474396
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1[C@@H](O)CC2[C@]([C@H]1C/C=C/1CCOC1=O)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C20H30O3/c1-13-15(7-6-14-8-11-23-18(14)22)20(4)10-5-9-19(2,3)17(20)12-16(13)21/h6,15-17,21H,1,5,7-12H2,2-4H3/b14-6+/t15-,16-,17?,20+/m0/s1 |
| Standard InCHIKey | NTDYMFJJFRUEDG-JDALIJFYSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
PMID: 19332371 Database: NPASS [NPC474396] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC295347
Formula: C20H26O4
Ingredient ID: NPC295347
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1OCC(=C1)/C=C/[C@H]1C(=C(O)C(=O)[C@@H]2[C@]1(C)CCCC2(C)C)C |
| Standard InCHI | InChI=1S/C20H26O4/c1-12-14(7-6-13-10-15(21)24-11-13)20(4)9-5-8-19(2,3)18(20)17(23)16(12)22/h6-7,10,14,18,22H,5,8-9,11H2,1-4H3/b7-6+/t14-,18-,20+/m0/s1 |
| Standard InCHIKey | CGTQDMWGKOVCFZ-TYUXXYNOSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
PMID: 19027298 Database: NPASS [NPC295347] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC290955
Formula: C20H26O3
Ingredient ID: NPC290955
| Common Name | Yunnacoronarin D |
| IUPAC Name | (4R,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3-(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one |
| Canonical SMILES | OCC1=CC(=O)[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C20H26O3/c1-19(2)8-4-9-20(3)16(6-5-14-7-10-23-13-14)15(12-21)11-17(22)18(19)20/h5-7,10-11,13,16,18,21H,4,8-9,12H2,1-3H3/b6-5+/t16-,18-,20+/m0/s1 |
| Standard InCHIKey | WXFNTSIVLQOLIB-CMJFGQFFSA-N |
| Ingredient External Links |
PubChem CID: 12187321 ChEMBL ID: CHEMBL511204 |
| Plant-Ingredient Association Reference |
PMID: 19332371 PMID: 19782567 Database: NPASS [NPC290955] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Hedychium yunnanense | Hedychium | Zingiberaceae |
Ingredient ID: NPC287839
Formula: C20H30O11
Ingredient ID: NPC287839
| Common Name | n.a. |
| IUPAC Name | methyl (4aS,9aS)-2,2-dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,4b,5,8a,9,9a-hexahydro-4H-pyrano[4,5]cyclopenta[2,4-d][1,3]dioxine-8-carboxylate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC2OC=C(C3C2[C@H]2COC(O[C@H]2C3)(C)C)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H30O11/c1-20(2)28-7-10-11(31-20)4-8-9(17(25)26-3)6-27-18(13(8)10)30-19-16(24)15(23)14(22)12(5-21)29-19/h6,8,10-16,18-19,21-24H,4-5,7H2,1-3H3/t8?,10-,11-,12+,13?,14+,15-,16+,18?,19-/m0/s1 |
| Standard InCHIKey | YAIGDKVCMQAHRK-WLZQLHOFSA-N |
| Ingredient External Links |
PubChem CID: 24893886 |
| Plant-Ingredient Association Reference |
Database: TCMID [9282] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC279877
Formula: C20H26O3
Ingredient ID: NPC279877
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1C=C(C)[C@]([C@@]2([C@@H]1C(C)(C)CCC2)C)(O)/C=C/c1cocc1 |
| Standard InCHI | InChI=1S/C20H26O3/c1-14-12-16(21)17-18(2,3)8-5-9-19(17,4)20(14,22)10-6-15-7-11-23-13-15/h6-7,10-13,17,22H,5,8-9H2,1-4H3/b10-6+/t17-,19-,20+/m0/s1 |
| Standard InCHIKey | USWFVTHYLJICBA-DYBKDBSWSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
PMID: 19027298 Database: NPASS [NPC279877] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC277525
Formula: C20H28O
Ingredient ID: NPC277525
| Common Name | Coronarin E |
| IUPAC Name | 3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan |
| Canonical SMILES | C=C1CC[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1 |
| Standard InCHIKey | QXVXYNOIXUIXBI-NDLVVHCESA-N |
| Ingredient External Links |
PubChem CID: 9971144 ZINC ID: ZINC000015167693 ChEMBL ID: CHEMBL109252 |
| Plant-Ingredient Association Reference |
PMID: 19782567 Database: NPASS [NPC277525] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Kiggelaria africana | Kiggelaria | Achariaceae | |
| Perymenium jelskii | Perymenium | Asteraceae | |
| Rhamnus formosana | Rhamnus | Rhamnaceae | |
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Guadua angustifolia | Guadua | Poaceae | |
| Senna didymobotrya | Senna | Fabaceae |
|
| Phenax angustifolius | Phenax | Urticaceae | |
| Prunus mahaleb | Prunus | Rosaceae |
|
| Potentilla candicans | Potentilla | Rosaceae | |
| Gaertnera morindoides | Gaertnera | Rubiaceae | |
| Celastrus dispermus | Celastrus | Celastraceae | |
| Viburnum betulifolium | Viburnum | Adoxaceae | |
| Cerbera odollam | Cerbera | Apocynaceae | |
| Coelogyne flavida | Coelogyne | Orchidaceae | |
| Lupinus luteus | Lupinus | Fabaceae |
|
| Hedychium coronarium | Hedychium | Zingiberaceae |
|
| Aquilegia viridiflora | Aquilegia | Ranunculaceae | |
| Trichilia havanensis | Trichilia | Meliaceae | |
| Senecio ruwenzoriensis | Senecio | Asteraceae | |
| Strychnos elaeocarpa | Strychnos | Loganiaceae | |
| Tripterospermum lanceolatum | Tripterospermum | Gentianaceae | |
| Acacia linarioides | Acacia | Fabaceae | |
| Rhamnus cathartica | Rhamnus | Rhamnaceae |
|
| Strychnos wallichiana | Strychnos | Loganiaceae | |
| Brombya platynema | Brombya | Rutaceae | |
| Piptadenia colubrina | Piptadenia | Fabaceae | |
| Jaborosa leucotricha | Jaborosa | Solanaceae | |
| Astragalus kabadianus | Astragalus | Fabaceae | |
| Spiraea formosana | Spiraea | Rosaceae | |
| Cichorium endivia | Cichorium | Asteraceae |
|
| Daphne arisanensis | Daphne | Thymelaeaceae | |
| Lippia adoensis | Lippia | Verbenaceae |
|
| Clinopodium gracile | Clinopodium | Lamiaceae | |
| Guettarda noumeana | Guettarda | Rubiaceae | |
| Veronica liwanensis | Veronica | Plantaginaceae | |
| Homalium longifolium | Homalium | Salicaceae | |
| Vachellia leucophloea | Vachellia | Fabaceae |
|
Ingredient ID: NPC268122
Formula: C20H26O3
Ingredient ID: NPC268122
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1OCC(=C1)/C=C/[C@H]1C(=CC(=O)[C@@H]2[C@]1(C)CCCC2(C)C)C |
| Standard InCHI | InChI=1S/C20H26O3/c1-13-10-16(21)18-19(2,3)8-5-9-20(18,4)15(13)7-6-14-11-17(22)23-12-14/h6-7,10-11,15,18H,5,8-9,12H2,1-4H3/b7-6+/t15-,18-,20+/m0/s1 |
| Standard InCHIKey | FFMBCNCKQXNLJE-MMZWZMGNSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
PMID: 19332371 Database: NPASS [NPC268122] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC26532
Formula: C20H24O4
Ingredient ID: NPC26532
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=CC1=C(O)C(=O)[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C20H24O4/c1-19(2)8-4-9-20(3)15(6-5-13-7-10-24-12-13)14(11-21)16(22)17(23)18(19)20/h5-7,10-12,15,18,22H,4,8-9H2,1-3H3/b6-5+/t15-,18-,20+/m0/s1 |
| Standard InCHIKey | KUZVESKWERRMKK-PIOJPPRKSA-N |
| Ingredient External Links |
ChEMBL ID: CHEMBL582854 |
| Plant-Ingredient Association Reference |
PMID: 19782567 Database: NPASS [NPC26532] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC246392
Formula: C20H26O3
Ingredient ID: NPC246392
| Common Name | n.a. |
| IUPAC Name | (4R,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-2-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one |
| Canonical SMILES | CC1=C(O)C(=O)[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C20H26O3/c1-13-15(7-6-14-8-11-23-12-14)20(4)10-5-9-19(2,3)18(20)17(22)16(13)21/h6-8,11-12,15,18,21H,5,9-10H2,1-4H3/b7-6+/t15-,18-,20+/m0/s1 |
| Standard InCHIKey | JPMIIVCZMUYZRA-MMZWZMGNSA-N |
| Ingredient External Links |
PubChem CID: 12189408 ZINC ID: ZINC000038539887 |
| Plant-Ingredient Association Reference |
PMID: 19332371 Database: NPASS [NPC246392] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Kiggelaria africana | Kiggelaria | Achariaceae | |
| Perymenium jelskii | Perymenium | Asteraceae | |
| Rhamnus formosana | Rhamnus | Rhamnaceae | |
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Guadua angustifolia | Guadua | Poaceae | |
| Senna didymobotrya | Senna | Fabaceae |
|
| Phenax angustifolius | Phenax | Urticaceae | |
| Prunus mahaleb | Prunus | Rosaceae |
|
| Potentilla candicans | Potentilla | Rosaceae | |
| Gaertnera morindoides | Gaertnera | Rubiaceae | |
| Celastrus dispermus | Celastrus | Celastraceae | |
| Viburnum betulifolium | Viburnum | Adoxaceae | |
| Cerbera odollam | Cerbera | Apocynaceae | |
| Coelogyne flavida | Coelogyne | Orchidaceae | |
| Lupinus luteus | Lupinus | Fabaceae |
|
| Hedychium coronarium | Hedychium | Zingiberaceae |
|
| Aquilegia viridiflora | Aquilegia | Ranunculaceae | |
| Trichilia havanensis | Trichilia | Meliaceae | |
| Senecio ruwenzoriensis | Senecio | Asteraceae | |
| Strychnos elaeocarpa | Strychnos | Loganiaceae | |
| Tripterospermum lanceolatum | Tripterospermum | Gentianaceae | |
| Acacia linarioides | Acacia | Fabaceae | |
| Rhamnus cathartica | Rhamnus | Rhamnaceae |
|
| Strychnos wallichiana | Strychnos | Loganiaceae | |
| Brombya platynema | Brombya | Rutaceae | |
| Piptadenia colubrina | Piptadenia | Fabaceae | |
| Jaborosa leucotricha | Jaborosa | Solanaceae | |
| Astragalus kabadianus | Astragalus | Fabaceae | |
| Spiraea formosana | Spiraea | Rosaceae | |
| Cichorium endivia | Cichorium | Asteraceae |
|
| Daphne arisanensis | Daphne | Thymelaeaceae | |
| Lippia adoensis | Lippia | Verbenaceae |
|
| Clinopodium gracile | Clinopodium | Lamiaceae | |
| Guettarda noumeana | Guettarda | Rubiaceae | |
| Veronica liwanensis | Veronica | Plantaginaceae | |
| Homalium longifolium | Homalium | Salicaceae | |
| Vachellia leucophloea | Vachellia | Fabaceae |
|
Ingredient ID: NPC242069
Formula: C20H26O4
Ingredient ID: NPC242069
| Common Name | Spicatanol |
| IUPAC Name | (2R)-3-[(E)-2-[(1S,4aS,8aR)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one |
| Canonical SMILES | O=C1O[C@H](C(=C1)/C=C/[C@H]1C(=CC(=O)[C@@H]2[C@]1(C)CCCC2(C)C)C)O |
| Standard InCHI | InChI=1S/C20H26O4/c1-12-10-15(21)17-19(2,3)8-5-9-20(17,4)14(12)7-6-13-11-16(22)24-18(13)23/h6-7,10-11,14,17-18,23H,5,8-9H2,1-4H3/b7-6+/t14-,17-,18+,20+/m0/s1 |
| Standard InCHIKey | KJASBNIUXGTDRP-GDJISRORSA-N |
| Ingredient External Links |
PubChem CID: 42630816 ChEMBL ID: CHEMBL467675 |
| Plant-Ingredient Association Reference |
PMID: 19332371 Database: NPASS [NPC242069] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC241095
Formula: C25H30O12
Ingredient ID: NPC241095
| Common Name | n.a. |
| IUPAC Name | [(1aR,6S)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC2OC=CC3C2[C@]2(CO)OC2[C@H]3OC(=O)/C=C/c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C25H30O12/c1-32-13-5-2-12(3-6-13)4-7-16(28)35-21-14-8-9-33-23(17(14)25(11-27)22(21)37-25)36-24-20(31)19(30)18(29)15(10-26)34-24/h2-9,14-15,17-24,26-27,29-31H,10-11H2,1H3/b7-4+/t14?,15-,17?,18-,19+,20-,21+,22?,23?,24+,25+/m1/s1 |
| Standard InCHIKey | SYHPDMZDZYFZLU-JFIRTFCKSA-N |
| Ingredient External Links |
PubChem CID: 6325621 |
| Plant-Ingredient Association Reference |
Database: TCMID [13880] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Buddleja officinalis | Buddleja | Scrophulariaceae |
|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Kaempferia galanga | Kaempferia | Zingiberaceae |
|
Ingredient ID: NPC208389
Formula: C22H28O4
Ingredient ID: NPC208389
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=O)OC1=C(C)[C@H](/C=C/c2cocc2)[C@@]2([C@@H](C1=O)C(C)(C)CCC2)C |
| Standard InCHI | InChI=1S/C22H28O4/c1-14-17(8-7-16-9-12-25-13-16)22(5)11-6-10-21(3,4)20(22)18(24)19(14)26-15(2)23/h7-9,12-13,17,20H,6,10-11H2,1-5H3/b8-7+/t17-,20-,22+/m0/s1 |
| Standard InCHIKey | ZZMOWNDJRNFDCJ-IIIKCKGOSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
PMID: 19332371 Database: NPASS [NPC208389] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC196407
Formula: C21H28O4
Ingredient ID: NPC196407
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@@H]1OC(=O)C=C1/C=C/[C@H]1C(=CC(=O)[C@@H]2[C@]1(C)CCCC2(C)C)C |
| Standard InCHI | InChI=1S/C21H28O4/c1-13-11-16(22)18-20(2,3)9-6-10-21(18,4)15(13)8-7-14-12-17(23)25-19(14)24-5/h7-8,11-12,15,18-19H,6,9-10H2,1-5H3/b8-7+/t15-,18-,19+,21+/m0/s1 |
| Standard InCHIKey | ILKIVDALMQTOOO-XYSGFGBLSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
PMID: 19332371 Database: NPASS [NPC196407] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
Ingredient ID: NPC196081
Formula: C12H14O3
Ingredient ID: NPC196081
| Common Name | n.a. |
| IUPAC Name | 2-[(4-methoxyphenyl)methylidene]butanoate |
| Canonical SMILES | CCC(=Cc1ccc(cc1)OC)C(=O)[O-] |
| Standard InCHI | InChI=1S/C12H14O3/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-8H,3H2,1-2H3,(H,13,14)/p-1 |
| Standard InCHIKey | KUPCCVYANAHYEX-UHFFFAOYSA-M |
| Ingredient External Links |
PubChem CID: 53445188 |
| Plant-Ingredient Association Reference |
Database: TCMID [7473] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Artemisia capillaris | Artemisia | Asteraceae |
|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Curcuma phaeocaulis | Curcuma | Zingiberaceae | |
| Curcuma kwangsiensis | Curcuma | Zingiberaceae |
|
| Kaempferia galanga | Kaempferia | Zingiberaceae |
|
| Curcuma wenyujin | Curcuma | Zingiberaceae | |
| Curcuma zedoaria | Curcuma | Zingiberaceae |
|
Ingredient ID: NPC179686
Formula: C12H14O3
Ingredient ID: NPC179686
| Common Name | 4-Methoxy Ethyl Cinnamate |
| IUPAC Name | ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate |
| Canonical SMILES | CCOC(=O)/C=C/c1ccc(cc1)OC |
| Standard InCHI | InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+ |
| Standard InCHIKey | DHNGCHLFKUPGPX-RMKNXTFCSA-N |
| Ingredient External Links |
PubChem CID: 5281783 ChEMBL ID: CHEMBL95956 |
| Plant-Ingredient Association Reference |
PMID: 19782567 Database: NPASS [NPC179686] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Eucommia ulmoides | Eucommia | Eucommiaceae |
|
| Curcuma phaeocaulis | Curcuma | Zingiberaceae | |
| Dalbergia odorifera | Dalbergia | Fabaceae |
|
| Curcuma kwangsiensis | Curcuma | Zingiberaceae |
|
| Kaempferia galanga | Kaempferia | Zingiberaceae |
|
| Curcuma wenyujin | Curcuma | Zingiberaceae | |
| Curcuma zedoaria | Curcuma | Zingiberaceae |
|
Ingredient ID: NPC167577
Formula: C11H12O2
Ingredient ID: NPC167577
| Common Name | Ethyl Cinnamate |
| IUPAC Name | ethyl (E)-3-phenylprop-2-enoate |
| Canonical SMILES | CCOC(=O)/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ |
| Standard InCHIKey | KBEBGUQPQBELIU-CMDGGOBGSA-N |
| Ingredient External Links |
PubChem CID: 637758 ZINC ID: ZINC000012358720 ChEMBL ID: CHEMBL318196 |
| Plant-Ingredient Association Reference |
PMID: 19782567 Database: NPASS [NPC167577] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Styrax benzoin | Styrax | Styracaceae |
|
| Styrax tonkinensis | Styrax | Styracaceae |
|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Eucommia ulmoides | Eucommia | Eucommiaceae |
|
| Kaempferia galanga | Kaempferia | Zingiberaceae |
|
| Terminalia chebula | Terminalia | Combretaceae |
|
| Cinnamomum cassia | Cinnamomum | Lauraceae |
|
| Syzygium aromaticum | Syzygium | Myrtaceae |
|
Ingredient ID: NPC164022
Formula: C15H26O2
Ingredient ID: NPC164022
| Common Name | n.a. |
| IUPAC Name | (1R,4S,4aR,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene-1,4-diol |
| Canonical SMILES | CC(C1=CC[C@@]2([C@@H](C1)[C@@](C)(O)CC[C@H]2O)C)C |
| Standard InCHI | InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13-,14-,15+/m1/s1 |
| Standard InCHIKey | SOZSXJHFVBBAOY-TUVASFSCSA-N |
| Ingredient External Links |
PubChem CID: 12313756 ZINC ID: ZINC000040875123 |
| Plant-Ingredient Association Reference |
PMID: 23422227 Database: NPASS [NPC164022] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Tristania conferta | Tristania | Myrtaceae | |
| Plectranthus myrianthus | Plectranthus | Lamiaceae | |
| Pentaclethra macrophylla | Pentaclethra | Fabaceae |
|
| Veronica polita | Veronica | Plantaginaceae |
|
| Glycosmis macrophylla | Glycosmis | Rutaceae | |
| Stephania zippeliana | Stephania | Menispermaceae | |
| Eucalyptus apodophylla | Eucalyptus | Myrtaceae |
|
| Hypericum polyanthemum | Hypericum | Hypericaceae | |
| Distephanus angulifolius | Distephanus | Asteraceae | |
| Periploca sepium | Periploca | Apocynaceae |
|
| Campylotropis hirtella | Campylotropis | Fabaceae |
|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Breonia chinensis | Breonia | Rubiaceae |
|
| Magnolia biondii | Magnolia | Magnoliaceae |
|
| Mentha cardiaca | Mentha | Lamiaceae | |
| Rhodiola semenovii | Rhodiola | Crassulaceae | |
| Crotalaria candicans | Crotalaria | Fabaceae | |
| Homalomena occulta | Homalomena | Araceae |
|
| Eria japonica | Eria | Orchidaceae | |
| Salvia sessei | Salvia | Lamiaceae | |
| Juniperus drupacea | Juniperus | Cupressaceae |
|
| Ceropegia dichotoma | Ceropegia | Apocynaceae |
|
| Ononis spinosa | Ononis | Fabaceae |
|
| Chloranthus japonicus | Chloranthus | Chloranthaceae |
|
| Crinum moorei | Crinum | Amaryllidaceae | |
| Eucalyptus globulus subsp. bicostata | Eucalyptus | Myrtaceae |
|
| Dendrobium loddigesii | Dendrobium | Orchidaceae |
|
| Gypsophila perfoliata | Gypsophila | Caryophyllaceae | |
| Pterocaulon virgatum | Pterocaulon | Asteraceae |
|
| Vernonia cistifolia | Vernonia | Asteraceae | |
| Sonneratia caseolaris | Sonneratia | Lythraceae |
|
Ingredient ID: NPC129417
Formula: C26H34O12
Ingredient ID: NPC129417
| Common Name | Olivil 4''-O-Beta-D-Glucopyranoside |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[[(3R,4S,5R)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1[C@@H](OC[C@@]1(O)Cc1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3/t15-,20+,21+,22-,23+,24-,25+,26-/m0/s1 |
| Standard InCHIKey | SXGSYHDLSPXCMU-QMFIMPQNSA-N |
| Ingredient External Links |
PubChem CID: 57395552 ChEMBL ID: CHEMBL1911056 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD29555] Database: NPASS [NPC129417] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Psammosilene tunicoides | Psammosilene | Caryophyllaceae | |
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Senna alexandrina | Senna | Fabaceae |
|
Ingredient ID: NPC103290
Formula: C15H26
Ingredient ID: NPC103290
| Common Name | n.a. |
| IUPAC Name | (4aS,8S,8aR)-4,4,8,8a-tetramethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalene |
| Canonical SMILES | C=C1CC[C@@H]2[C@]([C@H]1C)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C15H26/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h12-13H,1,6-10H2,2-5H3/t12-,13-,15+/m0/s1 |
| Standard InCHIKey | WOBFHHHYXAFVKB-KCQAQPDRSA-N |
| Ingredient External Links |
PubChem CID: 12184338 |
| Plant-Ingredient Association Reference |
PMID: 19332371 PMID: 19782567 Database: NPASS [NPC103290] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hedychium spicatum | Hedychium | Zingiberaceae |
|
| Foeniculum vulgare | Foeniculum | Apiaceae |
|
| Laggera pterodonta | Laggera | Asteraceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC103290 | C15H26 | 206.2034508 | 2.1274 | 3.11 | 7.043 | 0 | 0 | 0 | 4 | 2 | 15 | 1 | |
| NPC129417 | C26H34O12 | Olivil 4''-O-Beta-D-Glucopyranoside | 538.21 | -4.1428 | 3 | 0.107 | 8 | 7 | 187.76 | 18 | 4 | 38 | 1 |
| NPC164022 | C15H26O2 | 238.1932801 | 0.8766 | 2.89 | 2.806 | 2 | 2 | 40.46 | 7 | 2 | 17 | 0 | |
| NPC167577 | C11H12O2 | Ethyl Cinnamate | 176.08 | 0.6227 | 2.45 | 4.648 | 2 | 0 | 26.3 | 5 | 1 | 13 | 0 |
| NPC179686 | C12H14O3 | 4-Methoxy Ethyl Cinnamate | 206.09 | 0.5709 | 2.45 | 3.149 | 2 | 0 | 35.53 | 7 | 1 | 15 | 0 |
| NPC196081 | C12H14O3 | 2-[(4-methoxyphenyl)methylidene]butanoate | 205.0864693 | -0.3903 | 2.45 | 2.569 | 2 | 0 | 49.36 | 4 | 1 | 15 | 0 |
| NPC196407 | C21H28O4 | 344.2 | 2.0433 | 3.33 | 4.451 | 4 | 0 | 52.6 | 8 | 3 | 25 | 0 | |
| NPC208389 | C22H28O4 | 356.2 | 1.3131 | 3.44 | 5.129 | 3 | 0 | 56.51 | 9 | 3 | 26 | 1 | |
| NPC241095 | C25H30O12 | [(1aR,6S)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate | 522.1737264 | -3.6648 | 2.89 | 0.518 | 11 | 5 | 176.9 | 9 | 5 | 37 | 1 |
| NPC242069 | C20H26O4 | Spicatanol | 330.18 | 1.6348 | 3.22 | 3.932 | 4 | 1 | 63.6 | 7 | 3 | 24 | 0 |
| NPC246392 | C20H26O3 | 314.1881947 | 1.278 | 3.33 | 5.367 | 2 | 1 | 50.44 | 7 | 3 | 23 | 1 | |
| NPC26532 | C20H24O4 | 328.17 | 0.4436 | 3.22 | 5.266 | 3 | 1 | 67.51 | 7 | 3 | 24 | 1 | |
| NPC268122 | C20H26O3 | 314.19 | 1.9745 | 3.33 | 4.401 | 3 | 0 | 43.37 | 6 | 3 | 23 | 0 | |
| NPC277525 | C20H28O | Coronarin E | 284.21 | 2.0344 | 3.55 | 7.793 | 0 | 0 | 13.14 | 5 | 3 | 21 | 1 |
| NPC279877 | C20H26O3 | 314.19 | 0.9907 | 3.33 | 3.695 | 2 | 1 | 50.44 | 7 | 3 | 23 | 0 | |
| NPC287839 | C20H30O11 | 446.1788118 | -3.082 | 2.45 | -0.382 | 11 | 4 | 153.37 | 5 | 4 | 31 | 1 | |
| NPC290955 | C20H26O3 | Yunnacoronarin D | 314.19 | 0.6437 | 3.33 | 3.982 | 2 | 1 | 50.44 | 7 | 3 | 23 | 0 |
| NPC295347 | C20H26O4 | 330.18 | 1.5181 | 3.22 | 4.327 | 4 | 1 | 63.6 | 7 | 3 | 24 | 0 | |
| NPC474396 | C20H30O3 | 318.22 | 1.5289 | 3.33 | 4.857 | 3 | 1 | 46.53 | 6 | 3 | 23 | 0 | |
| NPC476346 | C17H24O3 | Spicatanoic Acid | 276.17 | 1.542 | 3 | 3.954 | 3 | 1 | 54.37 | 7 | 2 | 20 | 0 |
| NPC78540 | C15H10O4 | Chrysin | 254.06 | -1.4242 | 2.67 | 3.163 | 1 | 2 | 66.76 | 3 | 3 | 19 | 0 |
| NPC87466 | C20H26O2 | Hedychenone | 298.19 | 1.7344 | 3.44 | 5.441 | 1 | 0 | 30.21 | 6 | 3 | 22 | 1 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
