Natural Product: NPC128678
Natural Product ID:   | NPC128678 |
Common Name*:   | OPRVJOGZFPVPRP-JTQLQIEISA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | OPRVJOGZFPVPRP-JTQLQIEISA-N |
Standard InCHI:   | InChI=1S/C16H16O5/c1-20-13-5-4-12(15(18)16(13)19)10-6-9-2-3-11(17)7-14(9)21-8-10/h2-5,7,10,17-19H,6,8H2,1H3/t10-/m0/s1 |
SMILES:   | COc1ccc([C@H]2Cc3ccc(cc3OC2)O)c(c1O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
15939757 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0002506] Isoflavonoids
[CHEMONTID:0002586] O-methylated isoflavonoids[CHEMONTID:0002606] 4'-O-methylated isoflavonoids[CHEMONTID:0003651] 3'-hydroxy,4'-methoxyisoflavonoids
|
*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 |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
seed |
n.a. |
DOI[10.1007/s11418-005-0009-z] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10691704] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[12713396] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16378371] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16643065] |
NPO8025 |
Aaptos ciliata |
Species |
Suberitidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18257536] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19177635] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19433363] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[20022509] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
n.a. |
Sunan County, Gansu Province, China |
2006-JUN |
PMID[20684529] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21866899] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[22032651] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[22032651] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
whole plant |
Guide County, Qinghai Province, China |
2008-AUG |
PMID[22775441] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23325115] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[23541646] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28140583] |
NPO8257 |
Carpha glomerata |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30219526] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32705864] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7381508] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2131 |
Dactylorhiza viridis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO373 |
Viburnum erubescens |
Species |
Adoxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8790 |
Cyanostegia angustifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13474 |
Euphrasia genargentea |
Species |
Orobanchaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21472 |
Pterolobium hexapetalum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10132 |
Schizophyllum lobatum |
Species |
Schizophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO593 |
Wikstroemia viridiflora |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8025 |
Aaptos ciliata |
Species |
Suberitidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9998 |
Abies excelsa |
Species |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7418 |
Eucalyptus resinifera |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3838 |
Chrysosporum ovalisporum |
Species |
Aphanizomenonaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4123 |
Trididemnum cyanophorum |
Species |
Didemnidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1293 |
Streptomyces matensis |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6807 |
Ranunculus asiaticus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO373 |
Viburnum erubescens |
Species |
Adoxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5857 |
Achlya heterosexualis |
Species |
Saprolegniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9594 |
Lysimachia fordiana |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9091 |
Orthosiphon spicatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2670 |
Maytenus chuchuhuasha |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2131 |
Dactylorhiza viridis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4901 |
Arnica mollis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2439 |
Diplopterygium glaucum |
Species |
Gleicheniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6065 |
Brassica carinata |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3151 |
Solanum lanceolatum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8790 |
Cyanostegia angustifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9737 |
Ampelocera edentula |
Species |
Ulmaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10038.1 |
Abies pinsapo var. marocana |
Varieties |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8257 |
Carpha glomerata |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5086 |
Alternaria macrospora |
Species |
Pleosporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9867 |
Ixeris debilis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8938 |
Halobacillus litoralis |
Species |
Bacillaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7032 |
Marasmiellus troyanus |
Species |
Omphalotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29384 |
Glycyrrhiza glabra |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4536 |
Remirea maritima |
Species |
Cyperaceae |
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 |
☑ 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 NPC128678 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 NPC128678 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 |