Natural Product: NPC225406
Natural Product ID:   | NPC225406 |
Common Name*:   | IQZGFOPYNPSWQZ-HOZQILAUSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | IQZGFOPYNPSWQZ-HOZQILAUSA-N |
Standard InCHI:   | InChI=1S/C32H54O2/c1-28(2)23-12-10-21-20-30(5)17-14-24-29(3,4)27(34-9)16-19-32(24,7)25(30)13-11-22(21)31(23,6)18-15-26(28)33-8/h10,22-27H,11-20H2,1-9H3/t22-,23-,24-,25-,26-,27-,30-,31+,32-/m0/s1 |
SMILES:   | CC1(C)[C@@H]2CC=C3C[C@]4(C)CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@H]3[C@@]2(C)CC[C@@H]1OC)OC
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
101280202 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001553] Triterpenoids
|
*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 |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1007/BF00579992] |
NPO28641 |
Tubocapsicum anomalum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17417907] |
NPO28641 |
Tubocapsicum anomalum |
Species |
Solanaceae |
Eukaryota |
stems, roots, and leaves |
Da-Han Mountain, Kaohsiung, Taiwan |
2004-OCT |
PMID[17417907] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19829679] |
NPO28807 |
Laggera pterodonta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20506820] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[21087019] |
NPO14130 |
Phagnalon rupestre |
Species |
Asteraceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[21469692] |
NPO14130 |
Phagnalon rupestre |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21469692] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22314230] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23521110] |
NPO28765 |
Miliusa balansae |
Species |
Annonaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[26238320] |
NPO28171 |
Anacyclus pyrethrum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29775308] |
NPO28688 |
Aster tataricus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30931559] |
NPO28701 |
Salvia lanigera |
Species |
Lamiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[8824952] |
NPO27927 |
Alligator sinensis |
Species |
Alligatoridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9287418] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9834167] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28895 |
Pinus monticola |
Species |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28688 |
Aster tataricus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28830 |
Acronychia haplophylla |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28669 |
Cuscuta australis |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28464 |
Mentha sylvestris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28765 |
Miliusa balansae |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28326 |
Uncaria longiflora |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO24010 |
Buglossoides arvensis |
Species |
Boraginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28688 |
Aster tataricus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28669 |
Cuscuta australis |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28765 |
Miliusa balansae |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28830 |
Acronychia haplophylla |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO27988 |
Salvia pisidica |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28895 |
Pinus monticola |
Species |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28464 |
Mentha sylvestris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28932 |
Myrrhis odorata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28326 |
Uncaria longiflora |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28830 |
Acronychia haplophylla |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28688 |
Aster tataricus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28688 |
Aster tataricus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28669 |
Cuscuta australis |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28807 |
Laggera pterodonta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28545 |
Scymnorhinus lichia |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28842 |
Oscillatoria raoi |
Species |
Oscillatoriaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28578 |
Uperoleia inundata |
Species |
Myobatrachidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28623 |
Phlox decussata |
Species |
Polemoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28807 |
Laggera pterodonta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28280 |
Cetraria komarovii |
Species |
Parmeliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28213 |
Humicola grisea |
Species |
Chaetomiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27988 |
Salvia pisidica |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28688 |
Aster tataricus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28435 |
Solanum crinitum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28669 |
Cuscuta australis |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28414 |
Medicosma fareana |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28127 |
Ursinia speciosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28384 |
Ascotricha chartarum |
Species |
Xylariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28830 |
Acronychia haplophylla |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14130 |
Phagnalon rupestre |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28065 |
Pentachondra pumila |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24010 |
Buglossoides arvensis |
Species |
Boraginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28501 |
Hortonia angustifolia |
Species |
Monimiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28266 |
Phlomis ostrowskiana |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28337 |
Pimpinella peregrina |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24144 |
Ophiomastix mixta |
Species |
Ophiocomidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28171 |
Anacyclus pyrethrum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28464 |
Mentha sylvestris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27880 |
Mimusops laurifolia |
Species |
Sapotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28932 |
Myrrhis odorata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28877 |
Scutellaria baicalensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28739 |
Othonna macrophylla |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27968 |
Phoma linga |
Species |
Didymellaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28112 |
Amauris niavius |
Species |
Nymphalidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28233 |
Diplotropis ferruginea |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28895 |
Pinus monticola |
Species |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28641 |
Tubocapsicum anomalum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28326 |
Uncaria longiflora |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17288 |
Piliostigma thonningii |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28701 |
Salvia lanigera |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27927 |
Alligator sinensis |
Species |
Alligatoridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28145 |
Dendrodoris limbata |
Species |
Dendrodorididae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23092 |
Ammodendron karelinii |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28855 |
Salix petiolaris |
Species |
Salicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28489 |
Euphrasia regelii |
Species |
Orobanchaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28765 |
Miliusa balansae |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21547 |
Crinum giganteum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28559 |
Julbernardia globifera |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28196 |
Brachylaena perrieri |
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 NPC225406 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 | 262 |
0.1-0.2 | 2130 |
0.2-0.3 | 9069 |
0.3-0.4 | 16276 |
0.4-0.5 | 6394 |
0.5-0.6 | 5447 |
0.6-0.7 | 2507 |
0.7-0.8 | 567 |
0.8-0.85 | 42 |
0.85-0.9 | 1 |
0.9-0.95 | 2 |
0.95-1 | 0 |
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 NPC225406 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 234 |
0.1-0.2 | 2250 |
0.2-0.3 | 4301 |
0.3-0.4 | 1753 |
0.4-0.5 | 284 |
0.5-0.6 | 250 |
0.6-0.7 | 67 |
0.7-0.8 | 10 |
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 |