Natural Product: NPC299480
Natural Product ID:   | NPC299480 |
Common Name*:   | JPUKWEQWGBDDQB-WVTKYERHSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | JPUKWEQWGBDDQB-WVTKYERHSA-N |
Standard InCHI:   | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17?,18?,21+/m1/s1 |
SMILES:   | c1cc(ccc1c1c(c(=O)c2c(cc(cc2o1)O)O)O[C@H]1C(C([C@H]([C@@H](CO)O1)O)O)O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
44258737 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0000334] Flavonoids
[CHEMONTID:0001111] Flavonoid glycosides[CHEMONTID:0001583] Flavonoid O-glycosides[CHEMONTID:0003531] Flavonoid-3-O-glycosides
|
*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 |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/S0031-9422(00)94679-X] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10869194] |
NPO24476.1 |
Phellodendron amurense var. wilsonii |
Varieties |
Rutaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[14510598] |
NPO10429 |
Gentiana scabra |
Species |
Gentianaceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[17404979] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[18409045] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[18588343] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19331340] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
flower buds |
n.a. |
n.a. |
PMID[19926279] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[2092947] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
berry |
n.a. |
n.a. |
PMID[21216145] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
PMID[21348469] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
calyx |
n.a. |
PMID[21561086] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[21911291] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[24086493] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[24290061] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24968750] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25152999] |
NPO10429 |
Gentiana scabra |
Species |
Gentianaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[26129938] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
stems-leaves |
n.a. |
n.a. |
PMID[26420067] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27700077] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[27914541] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28225280] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
Flower Buds |
n.a. |
n.a. |
PMID[28345906] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30199256] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31675225] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31789520] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31804070] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32129622] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[3735324] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
kernel |
n.a. |
PMID[7092570] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO9153 |
Sorbaria sorbifolia |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10713 |
Trifolium repens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2724.1 |
Excoecaria cochinchinensis var. viridis |
Varieties |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1639 |
Pyrrosia lingua |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28300 |
Sorbaria arborea |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20144 |
Lespedeza tomentosa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10429 |
Gentiana scabra |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29049 |
Sinoadina racemosa |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24476.1 |
Phellodendron amurense var. wilsonii |
Varieties |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO6996 |
Rubus hirsutus |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23847 |
Lysimachia christinae |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[MetaboLights] |
NPO1639 |
Pyrrosia lingua |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9153 |
Sorbaria sorbifolia |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29049 |
Sinoadina racemosa |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10429 |
Gentiana scabra |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24476.1 |
Phellodendron amurense var. wilsonii |
Varieties |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10713 |
Trifolium repens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20144 |
Lespedeza tomentosa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23847 |
Lysimachia christinae |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6996 |
Rubus hirsutus |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2724.1 |
Excoecaria cochinchinensis var. viridis |
Varieties |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28300 |
Sorbaria arborea |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1639 |
Pyrrosia lingua |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO10429 |
Gentiana scabra |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28300 |
Sorbaria arborea |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO23847 |
Lysimachia christinae |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO9153 |
Sorbaria sorbifolia |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO10713 |
Trifolium repens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO10429 |
Gentiana scabra |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1639 |
Pyrrosia lingua |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO23847 |
Lysimachia christinae |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14112 |
Uncaria rhynchophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29049 |
Sinoadina racemosa |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28300 |
Sorbaria arborea |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23847 |
Lysimachia christinae |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6996 |
Rubus hirsutus |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10429 |
Gentiana scabra |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29141 |
Panax ginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20144 |
Lespedeza tomentosa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9153 |
Sorbaria sorbifolia |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1639 |
Pyrrosia lingua |
Species |
Polypodiaceae |
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 NPC299480 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 436 |
0.1-0.2 | 1770 |
0.2-0.3 | 4320 |
0.3-0.4 | 9961 |
0.4-0.5 | 8257 |
0.5-0.6 | 4444 |
0.6-0.7 | 5736 |
0.7-0.8 | 4712 |
0.8-0.85 | 1891 |
0.85-0.9 | 686 |
0.9-0.95 | 363 |
0.95-1 | 121 |
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 NPC299480 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 395 |
0.1-0.2 | 926 |
0.2-0.3 | 1875 |
0.3-0.4 | 2736 |
0.4-0.5 | 1861 |
0.5-0.6 | 925 |
0.6-0.7 | 271 |
0.7-0.8 | 118 |
0.8-0.85 | 20 |
0.85-0.9 | 17 |
0.9-0.95 | 6 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |