Natural Product: NPC256186
Natural Product ID:   | NPC256186 |
Common Name:   | 3-Methylbutanol |
IUPAC Name:   | 3-methylbutan-1-ol |
Synonyms:   | |
Molecular Formula:   | C5H12O |
Standard InCHIKey:   | PHTQWCKDNZKARW-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
Canonical SMILES:   | OCCC(C)C |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   |
; |
  Species Source
Organism ID |
Organism Name |
Taxonomy Level |
Family |
SuperKingdom |
Isolation Part |
Collection Location |
Collection Time |
Reference |
NPO26507 |
Galenia africana |
Species |
Aizoaceae |
Eukaryota |
|
|
|
UNPD* |
NPO29551 |
Mori fructus |
NA |
NA |
NA |
|
|
|
TCMSP* |
NPO1524 |
Rosa rugosa |
Species |
Rosaceae |
Eukaryota |
|
|
|
TCMID* |
NPO1524 |
Rosa rugosa |
Species |
Rosaceae |
Eukaryota |
|
|
|
TCM_Taiwan* |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
|
|
|
UNPD* |
NPO2997 |
Aloe africana |
Species |
Xanthorrhoeaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO26211 |
Knightia excelsa |
Species |
Proteaceae |
Eukaryota |
|
|
|
UNPD* |
NPO1524 |
Rosa rugosa |
Species |
Rosaceae |
Eukaryota |
|
|
|
HerDing* |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO3492 |
Negombata magnifica |
Species |
Latrunculiidae |
Eukaryota |
|
|
|
UNPD* |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
|
|
|
PMID[25518943] |
NPO14763 |
Aloe ferox |
Species |
Asphodelaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO25792 |
Delphinium andersoni |
Species |
Ranunculaceae |
Eukaryota |
|
|
|
UNPD* |
NPO17551 |
Phytolacca americana |
Species |
Phytolaccaceae |
Eukaryota |
|
|
|
HerDing* |
NPO2837 |
Aloe spicata |
Species |
Asphodelaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO25923 |
Vismia jefensis |
Species |
Hypericaceae |
Eukaryota |
|
|
|
UNPD* |
NPO1797 |
Homo sapiens |
Species |
Hominidae |
Eukaryota |
saliva |
|
|
PMID[24421258] |
NPO26378 |
Bistorta manshuriensis |
Species |
Polygonaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO1797 |
Homo sapiens |
Species |
Hominidae |
Eukaryota |
Faeces |
|
|
PMID[20055983] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO21658 |
Saccharomyces cerevisiae |
Species |
Saccharomycetaceae |
Eukaryota |
|
|
|
PMID[24678285] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
|
|
|
HerDing* |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
|
|
|
TCM_Taiwan* |
NPO2398 |
Millettia erythrocalyx |
Species |
Fabaceae |
Eukaryota |
|
|
|
UNPD* |
NPO15095 |
Hippophae rhamnoides |
Species |
Elaeagnaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO13281 |
Salvia hispanica |
Species |
Lamiaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26834 |
Eutypella scoparia |
Species |
Diatrypaceae |
Eukaryota |
|
|
|
UNPD* |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO5510 |
Lepidium draba |
Species |
Brassicaceae |
Eukaryota |
|
|
|
UNPD* |
NPO22505 |
Bombax ceiba |
Species |
Malvaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26900 |
Vallota purpurea |
NA |
NA |
NA |
|
|
|
UNPD* |
NPO26161 |
Globba malaccensis |
Species |
Zingiberaceae |
Eukaryota |
|
|
|
UNPD* |
NPO25769 |
Heterotheca inuloides |
Species |
Asteraceae |
Eukaryota |
|
|
|
UNPD* |
NPO23429 |
Lycium barbarum |
Species |
Solanaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO21830 |
Buddleja cordata |
Species |
Scrophulariaceae |
Eukaryota |
|
|
|
UNPD* |
NPO14578 |
Prorocentrum micans |
Species |
Prorocentraceae |
Eukaryota |
|
|
|
UNPD* |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO10783 |
Syncarpia hillii |
Species |
Myrtaceae |
Eukaryota |
|
|
|
UNPD* |
NPO12700 |
Diospyros eriantha |
Species |
Ebenaceae |
Eukaryota |
|
|
|
UNPD* |
NPO23213 |
Bistorta officinalis |
Species |
Polygonaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO7447 |
Nemalion vermiculare |
Species |
Liagoraceae |
Eukaryota |
|
|
|
UNPD* |
NPO9313 |
Fritillaria ningguoensis |
Species |
Liliaceae |
Eukaryota |
|
|
|
UNPD* |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO25739 |
Erysimum odoratum |
Species |
Brassicaceae |
Eukaryota |
|
|
|
UNPD* |
NPO12855 |
Alkanna cappadocica |
Species |
Boraginaceae |
Eukaryota |
|
|
|
UNPD* |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO9934 |
Mycobacterium leprae |
Species |
Mycobacteriaceae |
Bacteria |
|
|
|
UNPD* |
NPO26184 |
Diphasia angolensis |
Species |
Rutaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26607 |
Colobocentrotus atratus |
Species |
Echinidae |
Eukaryota |
|
|
|
UNPD* |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO5930 |
Crambe tatarica |
Species |
Brassicaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26374 |
Alangium premnifolium |
Species |
Cornaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26406 |
Saussurea carthamoides |
Species |
Asteraceae |
Eukaryota |
|
|
|
UNPD* |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
|
|
|
TM-MC* |
NPO25896 |
Bragantia wallichii |
NA |
NA |
NA |
|
|
|
UNPD* |
NPO13030 |
Artemisia dentata |
Species |
Asteraceae |
Eukaryota |
|
|
|
UNPD* |
NPO26561 |
Micromeria pineolens |
Species |
Lamiaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26429 |
Capsella bursa-pastoris |
Species |
Brassicaceae |
Eukaryota |
|
|
|
TCMID* |
NPO26927 |
Salacia madagascariensis |
Species |
Celastraceae |
Eukaryota |
|
|
|
UNPD* |
NPO2898 |
Quercus sessiliflora |
Species |
Fagaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26624 |
Ilex amara |
Species |
Aquifoliaceae |
Eukaryota |
|
|
|
UNPD* |
NPO23448 |
Vinegar |
NA |
NA |
NA |
|
|
|
TCMID* |
NPO25949 |
Streptomyces griseovariabilis |
Species |
Streptomycetaceae |
Bacteria |
|
|
|
UNPD* |
NPO26584 |
Gnidia lamprantha |
Species |
Thymelaeaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26052 |
Swertia delavayi |
Species |
Gentianaceae |
Eukaryota |
|
|
|
UNPD* |
NPO18101 |
Cicuta virosa |
Species |
Apiaceae |
Eukaryota |
|
|
|
TCMID* |
NPO6360 |
Xenoacremonium recifei |
Species |
Nectriaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26319 |
Solanum acaule |
Species |
Solanaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26451 |
Ophiocoma scolopendrina |
Species |
Ophiocomidae |
Eukaryota |
|
|
|
UNPD* |
NPO11411 |
Gossypium herbaceum |
Species |
Malvaceae |
Eukaryota |
|
|
|
TCMID* |
NPO25995 |
Laurencia distichophylla |
Species |
Rhodomelaceae |
Eukaryota |
|
|
|
UNPD* |
NPO25870 |
Vaccinium vitis-idaea |
Species |
Ericaceae |
Eukaryota |
|
|
|
UNPD* |
NPO25972 |
Eupolyphaga sinensis |
Species |
Corydiidae |
Eukaryota |
|
|
|
UNPD* |
NPO17551 |
Phytolacca americana |
Species |
Phytolaccaceae |
Eukaryota |
|
|
|
TCMID* |
NPO13671 |
Ononis vaginalis |
Species |
Fabaceae |
Eukaryota |
|
|
|
UNPD* |
NPO12196 |
Buphane fischeri |
NA |
NA |
NA |
|
|
|
UNPD* |
NPO26023 |
Angelica tarokoensis |
Species |
Apiaceae |
Eukaryota |
|
|
|
UNPD* |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
|
|
|
TCMID* |
NPO26699 |
Leonurus glaucescens |
Species |
Lamiaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26950 |
Maba buxifolia |
Species |
Ebenaceae |
Eukaryota |
|
|
|
UNPD* |
NPO13478 |
Scorzonera pseudodivaricata |
Species |
Asteraceae |
Eukaryota |
|
|
|
UNPD* |
NPO10597 |
Fructus syzygii |
NA |
NA |
NA |
|
|
|
TCMID* |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
|
|
|
TCMID* |
NPO1834 |
Atalantia racemosa |
Species |
Rutaceae |
Eukaryota |
|
|
|
UNPD* |
NPO13585 |
Rapanea lancifolia |
Species |
Primulaceae |
Eukaryota |
|
|
|
UNPD* |
NPO1771 |
Rose rugosae flos |
NA |
NA |
NA |
|
|
|
TCMSP* |
NPO26287 |
Spodoptera eridania |
Species |
Noctuidae |
Eukaryota |
|
|
|
UNPD* |
NPO24390.1 |
Juniperus rigida var. conferta |
Varieties |
Cupressaceae |
Eukaryota |
|
|
|
UNPD* |
NPO29545 |
Capsici fructus |
NA |
NA |
NA |
|
|
|
TCMSP* |
NPO26134 |
Epimedium davidii |
Species |
Berberidaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26349 |
Frullania tamarisci |
Species |
Frullaniaceae |
Eukaryota |
|
|
|
UNPD* |
NPO5446 |
Campsis flos |
Species |
Bignoniaceae |
Eukaryota |
|
|
|
TCMSP* |
NPO8928 |
Pteris semipinnata |
Species |
Pteridaceae |
Eukaryota |
|
|
|
UNPD* |
NPO11848 |
Lemaireocereus griseus |
Species |
Cactaceae |
Eukaryota |
|
|
|
UNPD* |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
|
|
|
TCMSP* |
NPO252 |
Hoffmannia strigillosa |
Species |
Rubiaceae |
Eukaryota |
|
|
|
UNPD* |
NPO26806 |
Nidula candida |
Species |
Nidulariaceae |
Eukaryota |
|
|
|
UNPD* |
NPO29719 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
|
|
|
TCMSP* |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
|
|
|
TCM_Taiwan* |
NPO26654 |
Penicillium citreonigrum |
Species |
Aspergillaceae |
Eukaryota |
|
|
|
UNPD* |
NPO24731 |
Sesami nigrum semen |
NA |
NA |
NA |
|
|
|
TCMSP* |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
|
|
|
HerDing* |
NPO26266 |
Isodon japonicus |
Species |
Lamiaceae |
Eukaryota |
|
|
|
UNPD* |
NPO9121 |
Mori follum |
NA |
NA |
NA |
|
|
|
TCMSP* |
  Biological Activity
Activity Type |
# Activity |
EC50 |
2 |
GI50 |
1 |
Potency |
1 |
Activity Type |
# Activity |
Organism |
3 |
Others |
1 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT561 |
Organism |
Tetrahymena pyriformis |
Tetrahymena pyriformis |
GI50 |
= |
92066153.75 |
nM |
10.1007/s00044-009-9166-z |
NPT562 |
Organism |
Colletotrichum gloeosporioides |
Colletotrichum gloeosporioides |
EC50 |
= |
3713 |
ug/ml |
12926880 |
NPT562 |
Organism |
Colletotrichum gloeosporioides |
Colletotrichum gloeosporioides |
EC50 |
= |
41686938.35 |
nM |
12926880 |
NPT2 |
Others |
Unspecified |
|
Potency |
|
10870.7 |
nM |
PubChem BioAssay data set |
  Similar Natural Products 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 ![](images/questionmark.png)
●  The left chart: Distribution of similarity level between NPC256186 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 | 1793 |
0.1-0.2 | 17404 |
0.2-0.3 | 9283 |
0.3-0.4 | 1928 |
0.4-0.5 | 298 |
0.5-0.6 | 117 |
0.6-0.7 | 44 |
0.7-0.8 | 14 |
0.8-0.85 | 2 |
0.85-0.9 | 4 |
0.9-0.95 | 1 |
0.95-1 | 1 |
  Similar Clinical/Approved Drugs
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC256186 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 2572 |
0.1-0.2 | 5121 |
0.2-0.3 | 987 |
0.3-0.4 | 361 |
0.4-0.5 | 82 |
0.5-0.6 | 30 |
0.6-0.7 | 7 |
0.7-0.8 | 1 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |
0.7727 |
Intermediate Similarity |
NPD8223 |
Approved |
0.6667 |
Remote Similarity |
NPD8224 |
Approved |
0.6429 |
Remote Similarity |
NPD57 |
Approved |
0.6296 |
Remote Similarity |
NPD8225 |
Phase 3 |
0.6129 |
Remote Similarity |
NPD8794 |
Clinical (unspecified phase) |
0.6071 |
Remote Similarity |
NPD8956 |
Approved |
0.6 |
Remote Similarity |
NPD8988 |
Clinical (unspecified phase) |
0.6 |
Remote Similarity |
NPD8549 |
Clinical (unspecified phase) |
0.5758 |
Remote Similarity |
NPD2272 |
Approved |
0.5758 |
Remote Similarity |
NPD5383 |
Approved |
0.5714 |
Remote Similarity |
NPD8226 |
Approved |
0.5625
|
Remote Similarity |
NPD8618 |
Approved |