Natural Product: NPC288506
Natural Product ID:   | NPC288506 |
Common Name*:   | AHLQXSOCSBYAFH-LVNWGQRMSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | AHLQXSOCSBYAFH-LVNWGQRMSA-N |
Standard InCHI:   | InChI=1S/C27H26O14/c1-11(28)36-10-20-25(37-12(2)29)26(38-13(3)30)23(35)27(41-20)40-18-7-5-15-21(33)19(39-24(15)22(18)34)9-14-4-6-16(31)17(32)8-14/h4-9,20,23,25-27,31-32,34-35H,10H2,1-3H3/b19-9-/t20-,23-,25-,26-,27-/m1/s1 |
SMILES:   | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](Oc2ccc3C(=O)/C(=C/c4ccc(c(c4)O)O)/Oc3c2O)O1)O)OC(=O)C)OC(=O)C
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
10603216 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0000334] Flavonoids
[CHEMONTID:0001111] Flavonoid glycosides[CHEMONTID:0001583] Flavonoid O-glycosides[CHEMONTID:0001738] Aurone 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. |
Madagascar Rainforest |
n.a. |
PMID[19058971] |
NPO9392 |
Elaeodendron alluaudianum |
Species |
Celastraceae |
Eukaryota |
n.a. |
stem |
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] |
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] |
NPO23440 |
Aconitum napellus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23538 |
Ephedra distachya |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22685 |
Astragalus bisulcatus |
Species |
Fabaceae |
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] |
NPO23538 |
Ephedra distachya |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24190 |
Uncaria sterrophylla |
Species |
Rubiaceae |
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] |
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] |
NPO23853 |
Senegalia mellifera |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22685 |
Astragalus bisulcatus |
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] |
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] |
NPO23286 |
Galium mollugo |
Species |
Rubiaceae |
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] |
NPO24811 |
Cibotium barometz |
Species |
Cibotiaceae |
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] |
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] |
NPO23440 |
Aconitum napellus |
Species |
Ranunculaceae |
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] |
NPO24405 |
Farlowia mollis |
Species |
Dumontiaceae |
Eukaryota |
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] |
NPO19691 |
Mycena fagetorum |
Species |
Tricholomataceae |
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] |
NPO24491 |
Flindersia xanthoxyla |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20454 |
Bidens pilosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24558 |
Calea lantanoides |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17874 |
Mus striatus |
Species |
Muridae |
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] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22685 |
Astragalus bisulcatus |
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] |
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] |
NPO24588 |
Phellinus igniarius |
Species |
Hymenochaetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22911 |
Enterococcus faecalis |
Species |
Enterococcaceae |
Bacteria |
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] |
NPO21796 |
Lepidium graminifolium |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
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] |
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] |
NPO24321 |
Vicia amoena |
Species |
Fabaceae |
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] |
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] |
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] |
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] |
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] |
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] |
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] |
NPO24020 |
Raputia praetermissa |
n.a. |
n.a. |
n.a. |
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] |
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] |
☑ 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 NPC288506 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 | 389 |
0.1-0.2 | 1652 |
0.2-0.3 | 4007 |
0.3-0.4 | 8710 |
0.4-0.5 | 9171 |
0.5-0.6 | 4347 |
0.6-0.7 | 5101 |
0.7-0.8 | 5905 |
0.8-0.85 | 2161 |
0.85-0.9 | 931 |
0.9-0.95 | 312 |
0.95-1 | 11 |
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 NPC288506 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 339 |
0.1-0.2 | 898 |
0.2-0.3 | 1972 |
0.3-0.4 | 2587 |
0.4-0.5 | 1888 |
0.5-0.6 | 935 |
0.6-0.7 | 361 |
0.7-0.8 | 126 |
0.8-0.85 | 27 |
0.85-0.9 | 13 |
0.9-0.95 | 4 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |