Structure

Physi-Chem Properties

MedChem Properties

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

ADMET: Distribution

ADMET: Metabolism

ADMET: Excretion

ADMET: Toxicity

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  Natural Product: NPC491386

Natural Product ID:  NPC491386
Common Name*:   Total Tocopherols
IUPAC Name:   n.a.
Synonyms:  
Standard InCHIKey:  n.a.
Standard InCHI:  n.a.
SMILES:  n.a.
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   n.a.
PubChem CID:   n.a.
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. Nigeria(latitude 80°N and longitude 4°E) 2005; 2006 DOI[10.1002/ejlt.201000080]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.1002/ejlt.201100207]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11306-010-0259-y]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11306-014-0638-x]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.1007/s11746-010-1670-2]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11746-997-0093-1]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11746-997-0093-1]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. Wrocław, Poland 2004–2005 DOI[10.1016/J.FOODCHEM.2006.08.014]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.1016/j.foodcont.2016.09.002]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Anhui province, China DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Gansu province, China DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Henan province, China DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Shandong province, China DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Shanxi province, China DOI[10.1016/j.foodres.2020.109416]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. retail stores, supermarkets and market stalls in Forssa and in the Helsinki area 2003–2005 DOI[10.1016/j.jfca.2006.05.007]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.1016/j.jfca.2010.08.006]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.phytol.2008.07.007]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.1016/j.supflu.2010.06.003]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.1016/j.supflu.2010.12.007]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.1016/j.supflu.2016.02.010]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.1016/j.supflu.2018.06.017]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1021/jf950732o]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seeds Plovdiv, Plovdiv region in South Bulgaria DOI[10.1051/CTV/20163101031]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.12691/jfnr-2-5-9]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. DOI[10.2174/092986712800229032]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. DOI[10.5219/332]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. kernel n.a. PMID[10670815]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[10775096]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[11170689]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. fruit n.a. PMID[11312782]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. leaf n.a. PMID[11312782]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[11408943]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. fruit n.a. PMID[12105962]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. root n.a. PMID[1622242]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[16659156]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[16668466]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Onehunga, New Zealand, PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Warminster, PA PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds n.a. PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Cornell Univeristy, Ithaca PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Petone, New Zealand PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Randolph, WI PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Shenandoah, IA PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Winslow, ME PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Cornell University, Geneva, NY PMID[17439238]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits Malatya Fruit Research Institute between the first and third weeks of 2005-Jul. PMID[18038980]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. Esuela Tecnica Superior de Ingenieros Agrónomos de Albacete 2007 PMID[19256538]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. PMID[19402674]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[19628108]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[19721258]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[19772486]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Roots n.a. n.a. PMID[20806783]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[20826702]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[20963508]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[21782011]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[22190295]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[22537213]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[22537213]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[22538527]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. seed n.a. PMID[23497864]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[23759170]
NPO7635 Glycine max Species Fabaceae Eukaryota Seeds Tekirdag, Turkey PMID[24499198]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Stalks n.a. n.a. PMID[24521157]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[24811150]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25053043]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25070365]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. seed n.a. PMID[25369450]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25369450]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[26838074]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[27313650]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[27429639]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[28274428]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Roots n.a. n.a. PMID[29741372]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seeds Benedictine Pannonhalma Archabbey, Hungary PMID[29803478]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[30236698]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds Guangzhou, China PMID[30563201]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[30583361]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[30599958]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[31159190]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota Seeds Yichun, Heilongjiang Province, China 2018-Sep PMID[31292343]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[31433178]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Fruits Wolkowo, Poland 2016-Oct PMID[31487816]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota Seeds n.a. PMID[31861466]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds HeZe, ShanDong, China early autumn (from August to the beginning of September PMID[32545196]
NPO5973 Sonchus asper Species Asteraceae Eukaryota n.a. Molise Region, Italy Autumn 2018 PMID[32803719]
NPO5973 Sonchus asper Species Asteraceae Eukaryota n.a. Molise Region, Italy Spring 2019 PMID[32803719]
NPO5973 Sonchus asper Species Asteraceae Eukaryota n.a. Molise Region, Italy PMID[32803719]
NPO7252 Sonchus oleraceus Species Asteraceae Eukaryota n.a. Molise Region, Italy Autumn 2018 PMID[32803719]
NPO7252 Sonchus oleraceus Species Asteraceae Eukaryota n.a. Molise Region, Italy Spring 2019 PMID[32803719]
NPO7252 Sonchus oleraceus Species Asteraceae Eukaryota n.a. Molise Region, Italy PMID[32803719]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Roots n.a. n.a. PMID[32951423]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Xinjiang,China PMID[33063333]
NPO5973 Sonchus asper Species Asteraceae Eukaryota n.a The rural area of Viçosa, State of Minas Gerais (MG), Brazil Adult stage PMID[35282307]
NPO7252 Sonchus oleraceus Species Asteraceae Eukaryota n.a The rural area of Viçosa, State of Minas Gerais (MG), Brazil Adult stage PMID[35282307]
NPO7635 Glycine max Species Fabaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Fruits n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Testa n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Leaf Essent. Oil n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Oil n.a. n.a. Database[FooDB]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota n.a. n.a. Database[FooDB]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. Database[FooDB]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Cotyledon n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Hypocotyl n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. seed n.a. Database[MetaboLights]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO7635 Glycine max Species Fabaceae Eukaryota Seeds n.a. Database[Phenol-Explorer]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5973 Sonchus asper Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5973 Sonchus asper Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7252 Sonchus oleraceus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

  NP Quantity Composition/Concentration

Organism ID NP ID Organism Material Preparation Organism Part NP Quantity (Standard) NP Quantity (Minimum) NP Quantity (Maximum) Quantity Unit Reference
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 373.31 ± 9.21 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 466.78 ± 1.27 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 468.97 ± 4.74 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 502.16 ± 5.04 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 507.64 ± 65.89 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 516.23 ± 2.58 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 541.52 ± 5.36 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 543.00 ± 3.84 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 555.99 ± 5.15 n.a. n.a. mg/kg of oil PMID[18038980]
NPO4795 NPC491386 AOCS Official Method Ce 2-66 Fruits 600.85 ± 1.03 n.a. n.a. mg/kg of oil PMID[18038980]
NPO14569 NPC491386 n.a. n.a. 4 n.a. n.a. mg/100g WB PMID[32803719]
NPO14569 NPC491386 n.a. n.a. 4.3 n.a. n.a. mg/100g WB PMID[32803719]
NPO14569 NPC491386 n.a. n.a. 4.1 n.a. n.a. mg/100g WB PMID[32803719]
NPO5973 NPC491386 n.a. n.a. 2.3 n.a. n.a. mg/100g WB PMID[32803719]
NPO5973 NPC491386 n.a. n.a. 4 n.a. n.a. mg/100g WB PMID[32803719]
NPO5973 NPC491386 n.a. n.a. 3.2 n.a. n.a. mg/100g WB PMID[32803719]
NPO7252 NPC491386 n.a. n.a. 2 n.a. n.a. mg/100g WB PMID[32803719]
NPO7252 NPC491386 n.a. n.a. 2.6 n.a. n.a. mg/100g WB PMID[32803719]
NPO7252 NPC491386 n.a. n.a. 2.3 n.a. n.a. mg/100g WB PMID[32803719]
NPO6473 NPC491386 Cold press Seeds 154.4±1.3 n.a. n.a. mg/kg of oil PMID[34645745]
NPO17024 NPC491386 ISO 659, 2009 Seeds 156.3 ± 4.7 n.a. n.a. mg/kg DOI[10.1051/CTV/20163101031]
NPO17024 NPC491386 ISO 659, 2009 Seeds 269.5 ± 5.4 n.a. n.a. mg/kg DOI[10.1051/CTV/20163101031]
NPO17024 NPC491386 ISO 659, 2009 Seeds 290.5 ± 5.8 n.a. n.a. mg/kg DOI[10.1051/CTV/20163101031]
NPO17024 NPC491386 ISO 659, 2009 Seeds 67.7 ± 2.7 n.a. n.a. mg/kg DOI[10.1051/CTV/20163101031]
NPO9585 NPC491386 the AOCS method Seeds 186.33 n.a. n.a. mg/kg of oil PMID[31292343]
NPO9798 NPC491386 The AOCS Official Method Seeds 457.92 ± 9.82 n.a. n.a. mg/kg PMID[33063333]
NPO9798 NPC491386 The AOCS Official Method Seeds 548.08 ± 4.32 n.a. n.a. mg/kg PMID[33063333]
NPO9798 NPC491386 The AOCS Official Method Seeds 626.63 ± 14.08 n.a. n.a. mg/kg PMID[33063333]
NPO9798 NPC491386 The AOCS Official Method Seeds 739.00 ± 6.36 n.a. n.a. mg/kg PMID[33063333]
NPO9798 NPC491386 The AOCS Official Method Seeds 807.34 ± 6.22 n.a. n.a. mg/kg PMID[33063333]
NPO7635 NPC491386 n.a. Seeds 104.9 n.a. n.a. mg/100g PMID[24499198]
NPO7635 NPC491386 n.a. Seeds 106.3 n.a. n.a. mg/100g PMID[24499198]
NPO7635 NPC491386 n.a. Seeds 117.9 n.a. n.a. mg/100g PMID[24499198]
NPO7635 NPC491386 n.a. Seeds 120.4 n.a. n.a. mg/100g PMID[24499198]
NPO7635 NPC491386 n.a. Seeds 121.4 n.a. n.a. mg/100g PMID[24499198]
NPO7635 NPC491386 n.a. Seeds 123.4 n.a. n.a. mg/100g PMID[24499198]
NPO7635 NPC491386 n.a. Seeds 124.9 n.a. n.a. mg/100g PMID[24499198]
NPO7298.3 NPC491386 n.a. Seeds 32.56±0.96 n.a. n.a. mg/kg PMID[27023318]
NPO7298.3 NPC491386 n.a. Seeds 76.53±1.39 n.a. n.a. mg/kg PMID[27023318]
NPO7298.3 NPC491386 n.a. Seeds 76.85±1.27 n.a. n.a. mg/kg PMID[27023318]
NPO7298.3 NPC491386 n.a. Seeds 78.14±1.25 n.a. n.a. mg/kg PMID[27023318]
NPO7298.3 NPC491386 n.a. Seeds 80.07±1.91 n.a. n.a. mg/kg PMID[27023318]
NPO7298.3 NPC491386 n.a. Seeds 81.41±1.64 n.a. n.a. mg/kg PMID[27023318]
NPO7298.3 NPC491386 n.a. Seeds 86.47±1.67 n.a. n.a. mg/kg PMID[27023318]
NPO7298.3 NPC491386 n.a. Seeds 64.08±1.81 n.a. n.a. mg/kg PMID[27023318]
NPO7298.3 NPC491386 n.a. Seeds 70.10±1.48 n.a. n.a. mg/kg PMID[27023318]
NPO13281 NPC491386 n.a. Seeds 76.96 ± 8.47 n.a. n.a. mg/kg PMID[30563201]
NPO42047 NPC491386 n.a. Seeds 578.60 ± 22.00 n.a. n.a. mg/kg of seed oil PMID[28255501]
NPO42048 NPC491386 n.a. Seeds 578.56 ± 2.19 n.a. n.a. ppm PMID[24566330]
NPO441 NPC491386 n.a. Seeds 933.8 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 689.9 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 1007.2 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 1045.5 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 907.1 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 922.6 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 1234.2 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 752 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 962 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 589.4 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 1071.9 n.a. n.a. mg/g PMID[17439238]
NPO441 NPC491386 n.a. Seeds 1002.8 n.a. n.a. mg/g PMID[17439238]

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

  Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC491386 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID

  Chemically structural similarity: II. Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC491386 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage

  Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity
B: biological targets similarity
C: networks similarity
D: cell-based bioactivity similarity
E: similarity based on clinical data