Natural Product: NPC120635
Natural Product ID:   | NPC120635 |
Common Name*:   | RHGKLRLOHDJJDR-SCSAIBSYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | RHGKLRLOHDJJDR-SCSAIBSYSA-N |
Standard InCHI:   | InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1 |
SMILES:   | C(C[C@H](C(=O)O)N)CNC(=N)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
7004911 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000264] Organic acids and derivatives
-
[CHEMONTID:0000265] Carboxylic acids and derivatives
[CHEMONTID:0000013] Amino acids, peptides, and analogues[CHEMONTID:0000347] Amino acids and derivatives[CHEMONTID:0000060] Alpha amino acids and derivatives[CHEMONTID:0002404] Alpha amino acids[CHEMONTID:0004145] D-alpha-amino acids
|
*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 |
NPO8680 |
Polypodium niponicum |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/S0031-9422(00)80275-7] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
seed |
n.a. |
DOI[10.1016/S0031-9422(00)97029-8] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[11540412] |
NPO18321 |
Medicago sativa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12232319] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[12467621] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[14510592] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[14727919] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[14727919] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
PMID[14727919] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[14727919] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16212233] |
NPO24850 |
Datura metel |
Species |
Solanaceae |
Eukaryota |
flowers |
Yuxi Town, Fuqing City, Fujian Province, China |
2005-SEP |
PMID[17583953] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17685651] |
NPO30603 |
Saussurea lappa |
n.a. |
n.a. |
n.a. |
n.a. |
root |
n.a. |
PMID[18409040] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
Northeastern Regional Plant Introduction Station at Geneva |
1966, 1967, and 1968 crop seasons |
PMID[18460139] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
pericarp |
n.a. |
PMID[18496782] |
NPO30603 |
Saussurea lappa |
n.a. |
n.a. |
n.a. |
roots |
n.a. |
n.a. |
PMID[18579374] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
seeds |
n.a. |
n.a. |
PMID[18603435] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
Stems |
n.a. |
n.a. |
PMID[18637688] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
Seeds |
n.a. |
n.a. |
PMID[20469887] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
calyx |
n.a. |
PMID[21561086] |
NPO18321 |
Medicago sativa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22208890] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
root bark |
n.a. |
n.a. |
PMID[23282106] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[24086493] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[24836069] |
NPO30603 |
Saussurea lappa |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[25068579] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25466114] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26477735] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
Root Bark |
n.a. |
n.a. |
PMID[26982999] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28621938] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[28737396] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
The ‘Dolina Mogilnicy’ Organic Farming Products Cooperative (Wolkowo, Poland) |
2016-Oct |
PMID[31416184] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
Vines |
n.a. |
n.a. |
PMID[32357011] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[3572418] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6821187] |
NPO30603 |
Saussurea lappa |
n.a. |
n.a. |
n.a. |
n.a. |
root |
n.a. |
PMID[8541643] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[9090870] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
Database[Article] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Stem Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Testa |
n.a. |
n.a. |
Database[FooDB] |
NPO18321 |
Medicago sativa |
Species |
Fabaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Embryo |
n.a. |
n.a. |
Database[FooDB] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO1551 |
Luffa aegyptiaca |
Species |
Cucurbitaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO17336 |
Benincasa hispida |
Species |
Cucurbitaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO1551 |
Luffa aegyptiaca |
Species |
Cucurbitaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO17336 |
Benincasa hispida |
Species |
Cucurbitaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO1551 |
Luffa aegyptiaca |
Species |
Cucurbitaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO1551 |
Luffa aegyptiaca |
Species |
Cucurbitaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17336 |
Benincasa hispida |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30404 |
Luffa cylindrica |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30603 |
Saussurea lappa |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29132 |
Agaricus campestris |
Species |
Agaricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24850 |
Datura metel |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18321 |
Medicago sativa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30772 |
Citrullus vulgaris |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8680 |
Polypodium niponicum |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8108.1 |
Citrullus lanatus subsp. vulgaris |
Subspecies |
Cucurbitaceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18321 |
Medicago sativa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24850 |
Datura metel |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29132 |
Agaricus campestris |
Species |
Agaricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8680 |
Polypodium niponicum |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17336 |
Benincasa hispida |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1551 |
Luffa aegyptiaca |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8108.1 |
Citrullus lanatus subsp. vulgaris |
Subspecies |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO30404 |
Luffa cylindrica |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO29132 |
Agaricus campestris |
Species |
Agaricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18321 |
Medicago sativa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8680 |
Polypodium niponicum |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO30772 |
Citrullus vulgaris |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17336 |
Benincasa hispida |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24850 |
Datura metel |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1551 |
Luffa aegyptiaca |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO24850 |
Datura metel |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO17336 |
Benincasa hispida |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24778 |
Sesamum orientale |
Species |
Pedaliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8182 |
Momordica charantia |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29132 |
Agaricus campestris |
Species |
Agaricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18321 |
Medicago sativa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1551 |
Luffa aegyptiaca |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25206 |
Cucurbita moschata |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24850 |
Datura metel |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8680 |
Polypodium niponicum |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17336 |
Benincasa hispida |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18296 |
Diospyros kaki |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25825 |
Saussurea lappa |
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 NPC120635 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 | 1608 |
0.1-0.2 | 30769 |
0.2-0.3 | 8274 |
0.3-0.4 | 1383 |
0.4-0.5 | 416 |
0.5-0.6 | 155 |
0.6-0.7 | 65 |
0.7-0.8 | 16 |
0.8-0.85 | 3 |
0.85-0.9 | 5 |
0.9-0.95 | 2 |
0.95-1 | 1 |
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 NPC120635 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 124 |
0.1-0.2 | 4770 |
0.2-0.3 | 3364 |
0.3-0.4 | 589 |
0.4-0.5 | 179 |
0.5-0.6 | 87 |
0.6-0.7 | 23 |
0.7-0.8 | 5 |
0.8-0.85 | 3 |
0.85-0.9 | 3 |
0.9-0.95 | 2 |
0.95-1 | 1 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |