Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO18286 | Lycogala epidendrum | Species | Enteridiidae | Eukaryota | UNPD* | |||
NPO19912 | Vellozia nanuzae | Species | Velloziaceae | Eukaryota | UNPD* | |||
NPO19231 | Sophora flavescens | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO21108 | Eria anomala | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO20489 | Epilobium hirsutum | Species | Onagraceae | Eukaryota | UNPD* | |||
NPO16141 | Piper regnellii | Species | Piperaceae | Eukaryota | UNPD* | |||
NPO28202 | Helichrysum tenuifolium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO3430 | Sophorae flavescentis radix | NA | NA | NA | TCMSP* | |||
NPO18668 | Asimina parviflora | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO27367 | Latrunculia magnifica | Species | Latrunculiidae | Eukaryota | UNPD* | |||
NPO12313 | Haplophyllum obtusifolium | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO3886 | Leontice alberti | Species | Berberidaceae | Eukaryota | UNPD* | |||
NPO19810 | Myxococcus stipitatus | Species | Myxococcaceae | Bacteria | UNPD* | |||
NPO121 | Fraxinus malacophylla | Species | Oleaceae | Eukaryota | UNPD* | |||
NPO16569 | Gymnocalycium schickendantzii | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO22961 | Cordia leucocephala | Species | Cordiaceae | Eukaryota | UNPD* | |||
NPO14241 | Planchonia grandis | Species | Asterolecaniidae | Eukaryota | UNPD* | |||
NPO20142 | Embelia schimperi | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO21243 | Siphonaria capensis | Species | Siphonariidae | Eukaryota | UNPD* | |||
NPO4051 | Tricholoma columbetta | Species | Tricholomataceae | Eukaryota | UNPD* | |||
NPO5903 | Conus mus | Species | Conidae | Eukaryota | UNPD* | |||
NPO18866 | Pteridium esculentum | Species | Dennstaedtiaceae | Eukaryota | UNPD* | |||
NPO17849 | Centaurea maculosa | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO28072 | Theonella conica | Species | Theonellidae | Eukaryota | UNPD* | |||
NPO17258 | Rhinella marina | Species | Bufonidae | Eukaryota | UNPD* | |||
NPO19511 | Dolabella californica | Species | Aplysiidae | Eukaryota | UNPD* | |||
NPO17334 | Onopordum acanthium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO21631 | Faramea salicifolia | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO22937 | Vernonia fagifolia | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO12056 | Chondrodendron tomentosum | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO19667 | Hypericum styphelioides | Species | Hypericaceae | Eukaryota | UNPD* | |||
NPO19930 | [clostridium] symbiosum | Species | Lachnospiraceae | Bacteria | UNPD* | |||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | UNPD* | |||
NPO19231 | Sophora flavescens | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO20624 | Simarouba glauca | Species | Simaroubaceae | Eukaryota | UNPD* | |||
NPO20084 | Atraphaxis spinosa | Species | Polygonaceae | Eukaryota | UNPD* | |||
NPO20680 | Erythrina melanacantha | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO21170 | Embelia parviflora | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO3152 | Morella rubra | Species | Myricaceae | Eukaryota | UNPD* | |||
NPO13449 | Syzygium polycephaloides | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO1059 | Sphaeranthus bullatus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO18473 | Plathymenia reticulata | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO11523 | Erysimum leptophyllum | Species | Brassicaceae | Eukaryota | UNPD* | |||
NPO20421 | Aplophyllum alberti-regelii | NA | NA | NA | UNPD* | |||
NPO17560 | Pancratium sickenbergeri | Species | Amaryllidaceae | Eukaryota | UNPD* | |||
NPO20879 | Clerodendrum bungei | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO18143 | Dendronephthya griffini | Species | Nephtheidae | Eukaryota | UNPD* | |||
NPO19036 | Esenbeckia leiocarpa | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO21375 | Euphorbia nematocypha | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO20843 | Monsonia senegalensis | Species | Geraniaceae | Eukaryota | UNPD* | |||
NPO21038 | Lemaireocereus longispinus | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO19995 | Baccharis neglecta | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO21495 | Abelia chinensis | Species | Caprifoliaceae | Eukaryota | UNPD* | |||
NPO9968 | Shigella dysenteriae | Species | Enterobacteriaceae | Bacteria | UNPD* | |||
NPO20598 | Lythrum salicaria | Species | Lythraceae | Eukaryota | UNPD* | |||
NPO21562 | Diospyros assimilis | Species | Ebenaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT91 | Cell Line | KB | Homo sapiens | IC50 | > | 40000 | nM | 26865176 |
NPT2 | Others | Unspecified | IC50 | > | 40000 | nM | 26865176 | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | > | 40000 | nM | 26865176 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 40000 | nM | 26865176 |
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 NPC268580 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.8701 | High Similarity | NPC308050 |
0.825 | Intermediate Similarity | NPC127430 |
0.825 | Intermediate Similarity | NPC120699 |
0.8193 | Intermediate Similarity | NPC143344 |
0.8193 | Intermediate Similarity | NPC234822 |
0.8193 | Intermediate Similarity | NPC78058 |
0.8193 | Intermediate Similarity | NPC61321 |
0.8193 | Intermediate Similarity | NPC135639 |
0.7765 | Intermediate Similarity | NPC207048 |
0.7564 | Intermediate Similarity | NPC271803 |
0.7564 | Intermediate Similarity | NPC68043 |
0.7564 | Intermediate Similarity | NPC266383 |
0.7564 | Intermediate Similarity | NPC180401 |
0.7564 | Intermediate Similarity | NPC48448 |
0.7564 | Intermediate Similarity | NPC206241 |
0.7564 | Intermediate Similarity | NPC290231 |
0.7356 | Intermediate Similarity | NPC116881 |
0.7356 | Intermediate Similarity | NPC57163 |
0.7326 | Intermediate Similarity | NPC255430 |
0.7174 | Intermediate Similarity | NPC145707 |
0.7108 | Intermediate Similarity | NPC80447 |
0.7108 | Intermediate Similarity | NPC63284 |
0.7024 | Intermediate Similarity | NPC320667 |
0.7024 | Intermediate Similarity | NPC214125 |
0.6883 | Remote Similarity | NPC477461 |
0.6883 | Remote Similarity | NPC477459 |
0.6804 | Remote Similarity | NPC91036 |
0.6744 | Remote Similarity | NPC244256 |
0.6744 | Remote Similarity | NPC86452 |
0.66 | Remote Similarity | NPC144714 |
0.66 | Remote Similarity | NPC100810 |
0.6591 | Remote Similarity | NPC267203 |
0.6591 | Remote Similarity | NPC132858 |
0.6591 | Remote Similarity | NPC77890 |
0.6484 | Remote Similarity | NPC124359 |
0.6463 | Remote Similarity | NPC76869 |
0.6463 | Remote Similarity | NPC477460 |
0.6355 | Remote Similarity | NPC143173 |
0.6346 | Remote Similarity | NPC472856 |
0.6211 | Remote Similarity | NPC168017 |
0.6133 | Remote Similarity | NPC151004 |
0.6133 | Remote Similarity | NPC228980 |
0.6133 | Remote Similarity | NPC243635 |
0.6082 | Remote Similarity | NPC178632 |
0.6022 | Remote Similarity | NPC215474 |
0.6 | Remote Similarity | NPC76283 |
0.5938 | Remote Similarity | NPC157479 |
0.5904 | Remote Similarity | NPC476559 |
0.5875 | Remote Similarity | NPC231129 |
0.5833 | Remote Similarity | NPC147513 |
0.5802 | Remote Similarity | NPC82919 |
0.5773 | Remote Similarity | NPC322672 |
0.5761 | Remote Similarity | NPC28529 |
0.5714 | Remote Similarity | NPC473525 |
0.567 | Remote Similarity | NPC319913 |
0.566 | Remote Similarity | NPC474001 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC268580 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6591 | Remote Similarity | NPD529 | Approved |
0.6133 | Remote Similarity | NPD1821 | Approved |
0.6133 | Remote Similarity | NPD1822 | Approved |
0.6133 | Remote Similarity | NPD1823 | Approved |
0.5795 | Remote Similarity | NPD816 | Approved |
0.5795 | Remote Similarity | NPD815 | Approved |
0.562 | Remote Similarity | NPD3549 | Approved |
0.562 | Remote Similarity | NPD3547 | Approved |
0.562 | Remote Similarity | NPD3550 | Clinical (unspecified phase) |
PubChem CID   | |
ChEMBL   | CHEMBL3765820 |
ZINC   |
Molecular Weight:   | 246.17 |
ALogP:   | -1.3735 |
MLogP:   | 2.78 |
XLogP:   | 0.647 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 23.55 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 0 |
# Rings:   | 4 |
# Heavy Atoms:   | 18 |