Natural Product: NPC170826
Natural Product ID:   | NPC170826 |
Common Name*:   | NPJICTMALKLTFW-KUENWNPSSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | NPJICTMALKLTFW-KUENWNPSSA-N |
Standard InCHI:   | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1 |
SMILES:   | CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C(C)C
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
12309073 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000258] Steroids and steroid derivatives
[CHEMONTID:0002031] Stigmastanes and derivatives
|
*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 |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
DOI[10.1021/np100392m] |
NPO26913 |
Isodon excisus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[10896056] |
NPO26913 |
Isodon excisus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11374970] |
NPO18340 |
Ligustrum lucidum |
Species |
Oleaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[11411539] |
NPO2717 |
Vatica cinerea |
Species |
Dipterocarpaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12608862] |
NPO24498 |
Casearia membranacea |
Species |
Salicaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[14709876] |
NPO24498 |
Casearia membranacea |
Species |
Salicaceae |
Eukaryota |
n.a. |
twig |
n.a. |
PMID[14709876] |
NPO24498 |
Casearia membranacea |
Species |
Salicaceae |
Eukaryota |
Leaves; Twigs |
n.a. |
n.a. |
PMID[15043402] |
NPO11597 |
Stellaria dichotoma |
Species |
Caryophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15387643] |
NPO1074 |
Hydrastis canadensis |
Species |
Ranunculaceae |
Eukaryota |
Roots; Rhizomes |
n.a. |
n.a. |
PMID[15568768] |
NPO24498 |
Casearia membranacea |
Species |
Salicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16309320] |
NPO11597 |
Stellaria dichotoma |
Species |
Caryophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16309326] |
NPO26913 |
Isodon excisus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17338565] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[20879743] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21190854] |
NPO26913 |
Isodon excisus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21273070] |
NPO6706 |
Arthrobotrys oligospora |
Species |
Orbiliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21568306] |
NPO1074 |
Hydrastis canadensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[21661731] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21807513] |
NPO1074 |
Hydrastis canadensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22029392] |
NPO26913 |
Isodon excisus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[22066578] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
stems and twigs |
Beihai, Guangxi province, China |
2008-Jan |
PMID[22196120] |
NPO1074 |
Hydrastis canadensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29091439] |
NPO4554 |
Isatis tinctoria |
Species |
Brassicaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[32004936] |
NPO1425 |
Salvia palaestina |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6677714] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[7623051] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[7623051] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
twig |
n.a. |
PMID[7623051] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7623051] |
NPO1074 |
Hydrastis canadensis |
Species |
Ranunculaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[9784149] |
NPO1074 |
Hydrastis canadensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17866 |
Peucedanum rubricaule |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24498 |
Casearia membranacea |
Species |
Salicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28301 |
Clerodendron cyrtophyllum |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24267 |
Paeonia veitchii |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO6956 |
Citrus limonia |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23501 |
Symphytum asperum |
Species |
Boraginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18340 |
Ligustrum lucidum |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO4554 |
Isatis tinctoria |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18340 |
Ligustrum lucidum |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9258 |
Plantago cornuti |
Species |
Plantaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24498 |
Casearia membranacea |
Species |
Salicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6956 |
Citrus limonia |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6450 |
Desmodium canum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28301 |
Clerodendron cyrtophyllum |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4554 |
Isatis tinctoria |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21458 |
Radix paeoniae rubra |
Species |
Lymnaeidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17866 |
Peucedanum rubricaule |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23501 |
Symphytum asperum |
Species |
Boraginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24267 |
Paeonia veitchii |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1074 |
Hydrastis canadensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18340 |
Ligustrum lucidum |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO6956 |
Citrus limonia |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17866 |
Peucedanum rubricaule |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24267 |
Paeonia veitchii |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11597 |
Stellaria dichotoma |
Species |
Caryophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO4487 |
Fritillaria thunbergii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO4554 |
Isatis tinctoria |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11597 |
Stellaria dichotoma |
Species |
Caryophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18340 |
Ligustrum lucidum |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1605 |
Cleidion spiciflorum |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7826 |
Agrobacterium aurantiacum |
Species |
Rhizobiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2717 |
Vatica cinerea |
Species |
Dipterocarpaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23415 |
Dalea tinctoria |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23501 |
Symphytum asperum |
Species |
Boraginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1074 |
Hydrastis canadensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24267 |
Paeonia veitchii |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20429 |
Porophyllum riedelii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5784 |
Walsura chrysogyne |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11597 |
Stellaria dichotoma |
Species |
Caryophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22608 |
Excoecaria agallocha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4554 |
Isatis tinctoria |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1425 |
Salvia palaestina |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9258 |
Plantago cornuti |
Species |
Plantaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24294 |
Lolium cuneatum |
Species |
Poaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5442 |
Bryum weigelii |
Species |
Bryaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO407 |
Chlorurus gibbus |
Species |
Labridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6450 |
Desmodium canum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24498 |
Casearia membranacea |
Species |
Salicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6956 |
Citrus limonia |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6706 |
Arthrobotrys oligospora |
Species |
Orbiliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9079 |
Tephrosia egregia |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4873 |
Plectranthus sylvestris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26913 |
Isodon excisus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11435 |
Tulipa sylvestris |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23060 |
Hedeoma pulegioides |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17883 |
Salvia infuscata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4487 |
Fritillaria thunbergii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21042 |
Penstemon richardsonii |
Species |
Plantaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18340 |
Ligustrum lucidum |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6977 |
Triopha carpenteri |
Species |
n.a. |
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 NPC170826 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 | 216 |
0.1-0.2 | 1632 |
0.2-0.3 | 5591 |
0.3-0.4 | 13288 |
0.4-0.5 | 9061 |
0.5-0.6 | 5579 |
0.6-0.7 | 4536 |
0.7-0.8 | 2250 |
0.8-0.85 | 288 |
0.85-0.9 | 208 |
0.9-0.95 | 39 |
0.95-1 | 9 |
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 NPC170826 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 179 |
0.1-0.2 | 1820 |
0.2-0.3 | 4287 |
0.3-0.4 | 1907 |
0.4-0.5 | 496 |
0.5-0.6 | 244 |
0.6-0.7 | 175 |
0.7-0.8 | 41 |
0.8-0.85 | 1 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |