Natural Product: NPC249958
Natural Product ID:   | NPC249958 |
Common Name*:   | GUVPHHLUFIQDHV-XVQROTRXSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | GUVPHHLUFIQDHV-XVQROTRXSA-N |
Standard InCHI:   | InChI=1S/C21H22O11/c22-8-15-17(28)18(29)19(30)21(31-15)32-20-13(25)6-3-10(16(20)27)11(23)4-1-9-2-5-12(24)14(26)7-9/h1-7,15,17-19,21-22,24-30H,8H2/b4-1+/t15-,17-,18+,19-,21+/m1/s1 |
SMILES:   | C(=CC(=O)c1ccc(c(c1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)/c1ccc(c(c1)O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
n.a. |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0000334] Flavonoids
[CHEMONTID:0001111] Flavonoid glycosides[CHEMONTID:0001583] Flavonoid 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 |
NPO15117 |
Chromolaena odorata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/S0031-9422(00)88710-5] |
NPO23656 |
Typha latifolia |
Species |
Typhaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1021/np50070a031] |
NPO24753 |
Ballota limbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[15056960] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15165144] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15844878] |
NPO25104 |
Grindelia scorzonerifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15844947] |
NPO20454 |
Bidens pilosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16041399] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16209522] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17279797] |
NPO28581 |
Aspergillus fumisynnematus |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17523650] |
NPO9392 |
Elaeodendron alluaudianum |
Species |
Celastraceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[19058971] |
NPO9392 |
Elaeodendron alluaudianum |
Species |
Celastraceae |
Eukaryota |
n.a. |
Madagascar Rainforest |
n.a. |
PMID[19058971] |
NPO24811 |
Cibotium barometz |
Species |
Cibotiaceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[19739599] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20488581] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20583752] |
NPO15117 |
Chromolaena odorata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23186307] |
NPO24718 |
Streptomyces parvulus |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[23423168] |
NPO23440 |
Aconitum napellus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23876370] |
NPO20454 |
Bidens pilosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[469551] |
NPO23108 |
Pinus flexilis |
Species |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9834165] |
NPO23538 |
Ephedra distachya |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23440 |
Aconitum napellus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22685 |
Astragalus bisulcatus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24811 |
Cibotium barometz |
Species |
Cibotiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24771 |
Boenninghausenia albiflora |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24190 |
Uncaria sterrophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23286 |
Galium mollugo |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23656 |
Typha latifolia |
Species |
Typhaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22685 |
Astragalus bisulcatus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23853 |
Senegalia mellifera |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23656 |
Typha latifolia |
Species |
Typhaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23286 |
Galium mollugo |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25266 |
Baccharoides lasiopus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24811 |
Cibotium barometz |
Species |
Cibotiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23538 |
Ephedra distachya |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24771 |
Boenninghausenia albiflora |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23440 |
Aconitum napellus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24190 |
Uncaria sterrophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15117 |
Chromolaena odorata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24753 |
Ballota limbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23440 |
Aconitum napellus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24811 |
Cibotium barometz |
Species |
Cibotiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24771 |
Boenninghausenia albiflora |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO23538 |
Ephedra distachya |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22685 |
Astragalus bisulcatus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO23656 |
Typha latifolia |
Species |
Typhaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24321 |
Vicia amoena |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24811 |
Cibotium barometz |
Species |
Cibotiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO25104 |
Grindelia scorzonerifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23656 |
Typha latifolia |
Species |
Typhaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21796 |
Lepidium graminifolium |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24968 |
Delphinus globiceps |
Species |
Delphinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24753 |
Ballota limbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25266 |
Baccharoides lasiopus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7066 |
Gomesa radicans |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24321 |
Vicia amoena |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24899 |
Chroogomphus helveticus |
Species |
Gomphidiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23108 |
Pinus flexilis |
Species |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24112 |
Pisaster giganteus |
Species |
Asteriidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22025 |
Drosera indica |
Species |
Droseraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25129 |
Tricholoma acerbum |
Species |
Tricholomataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28581 |
Aspergillus fumisynnematus |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19819 |
Trichoderma viride |
Species |
Hypocreaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23538 |
Ephedra distachya |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15117 |
Chromolaena odorata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25065 |
Gardenia imperialis |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24020 |
Raputia praetermissa |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9392 |
Elaeodendron alluaudianum |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24771 |
Boenninghausenia albiflora |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23365 |
Drummondita hassellii |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24657 |
Bothriocline ripensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23440 |
Aconitum napellus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25225 |
Radianthus kuekenthali |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24935 |
Coronilla cretica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24687 |
Sabadilla officinalis |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13694 |
Rhodococcus erythropolis |
Species |
0cardiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24405 |
Farlowia mollis |
Species |
Dumontiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23286 |
Galium mollugo |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24718 |
Streptomyces parvulus |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19691 |
Mycena fagetorum |
Species |
Tricholomataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20454 |
Bidens pilosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24491 |
Flindersia xanthoxyla |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17874 |
Mus striatus |
Species |
Muridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24558 |
Calea lantanoides |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24522 |
Sepia officinalis |
Species |
Sepiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25190 |
Lonchocarpus atropurpureus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23144 |
Brachyglottis bidwillii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24190 |
Uncaria sterrophylla |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22685 |
Astragalus bisulcatus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23749 |
Achillea nana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO249 |
Dysosma pleianthum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23853 |
Senegalia mellifera |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25150 |
Haliclona cribricutis |
Species |
Chalinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24811 |
Cibotium barometz |
Species |
Cibotiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22911 |
Enterococcus faecalis |
Species |
Enterococcaceae |
Bacteria |
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 NPC249958 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 | 423 |
0.1-0.2 | 1673 |
0.2-0.3 | 4100 |
0.3-0.4 | 9320 |
0.4-0.5 | 8667 |
0.5-0.6 | 3985 |
0.6-0.7 | 4819 |
0.7-0.8 | 5791 |
0.8-0.85 | 2254 |
0.85-0.9 | 1294 |
0.9-0.95 | 345 |
0.95-1 | 26 |
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 NPC249958 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 381 |
0.1-0.2 | 909 |
0.2-0.3 | 1921 |
0.3-0.4 | 2639 |
0.4-0.5 | 1788 |
0.5-0.6 | 939 |
0.6-0.7 | 389 |
0.7-0.8 | 135 |
0.8-0.85 | 26 |
0.85-0.9 | 18 |
0.9-0.95 | 5 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |