Natural Product: NPC277758

Natural Product ID:  NPC277758
Common Name:   4-Hydroxybenzenesulfonic Acid
IUPAC Name:   4-hydroxybenzenesulfonic acid
Synonyms:  
Molecular Formula:   C6H6O4S
Standard InCHIKey:  FEPBITJSIHRMRT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
Canonical SMILES:  Oc1ccc(cc1)S(=O)(=O)O
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
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota TM-MC*
NPO16609 Ganoderma sinense Species Ganodermataceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 2238.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 1.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23891.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 5353.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 631 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

●  The left chart: Distribution of similarity level between NPC277758 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
0.8 Intermediate Similarity NPC100980
0.7841 Intermediate Similarity NPC65517
0.7582 Intermediate Similarity NPC204932
0.75 Intermediate Similarity NPC270094
0.7391 Intermediate Similarity NPC4154
0.7253 Intermediate Similarity NPC322285
0.7203 Intermediate Similarity NPC179468
0.7159 Intermediate Similarity NPC215445
0.7083 Intermediate Similarity NPC319826
0.7083 Intermediate Similarity NPC265146
0.7083 Intermediate Similarity NPC38459
0.7083 Intermediate Similarity NPC33756
0.7083 Intermediate Similarity NPC124436
0.7041 Intermediate Similarity NPC280254
0.701 Intermediate Similarity NPC150837
0.701 Intermediate Similarity NPC175313
0.701 Intermediate Similarity NPC286904
0.701 Intermediate Similarity NPC248817
0.6981 Remote Similarity NPC477801
0.6981 Remote Similarity NPC477802
0.697 Remote Similarity NPC157213
0.697 Remote Similarity NPC104216
0.6939 Remote Similarity NPC155393
0.6939 Remote Similarity NPC197783
0.6923 Remote Similarity NPC140619
0.6869 Remote Similarity NPC23167
0.6869 Remote Similarity NPC407
0.6869 Remote Similarity NPC307235
0.6869 Remote Similarity NPC184169
0.6857 Remote Similarity NPC275104
0.6832 Remote Similarity NPC288923
0.6832 Remote Similarity NPC300478
0.6832 Remote Similarity NPC47950
0.6832 Remote Similarity NPC300017
0.6832 Remote Similarity NPC312304
0.68 Remote Similarity NPC113460
0.68 Remote Similarity NPC25493
0.68 Remote Similarity NPC27974
0.6768 Remote Similarity NPC252149
0.6765 Remote Similarity NPC45040
0.6765 Remote Similarity NPC270547
0.6733 Remote Similarity NPC123273
0.6733 Remote Similarity NPC280347
0.6733 Remote Similarity NPC318325
0.6733 Remote Similarity NPC242240
0.6733 Remote Similarity NPC177420
0.6733 Remote Similarity NPC258219
0.6733 Remote Similarity NPC98772
0.6699 Remote Similarity NPC181709
0.6699 Remote Similarity NPC325292
0.6699 Remote Similarity NPC138117
0.6699 Remote Similarity NPC29373
0.6667 Remote Similarity NPC192
0.6667 Remote Similarity NPC151764
0.6667 Remote Similarity NPC55561
0.6635 Remote Similarity NPC81010
0.6635 Remote Similarity NPC128062
0.6635 Remote Similarity NPC151715
0.6635 Remote Similarity NPC16649
0.6635 Remote Similarity NPC32977
0.6635 Remote Similarity NPC114325
0.6634 Remote Similarity NPC19680
0.6602 Remote Similarity NPC174048
0.6602 Remote Similarity NPC304541
0.6602 Remote Similarity NPC155908
0.6602 Remote Similarity NPC306074
0.6602 Remote Similarity NPC231150
0.6602 Remote Similarity NPC322888
0.6602 Remote Similarity NPC204210
0.6571 Remote Similarity NPC286006
0.6571 Remote Similarity NPC274678
0.6571 Remote Similarity NPC313650
0.6571 Remote Similarity NPC107522
0.6571 Remote Similarity NPC26244
0.6571 Remote Similarity NPC246679
0.6571 Remote Similarity NPC257182
0.6562 Remote Similarity NPC124576
0.6542 Remote Similarity NPC130193
0.6538 Remote Similarity NPC295295
0.6538 Remote Similarity NPC271440
0.6538 Remote Similarity NPC55903
0.6538 Remote Similarity NPC94139
0.6538 Remote Similarity NPC3358
0.6538 Remote Similarity NPC210497
0.6538 Remote Similarity NPC147284
0.6538 Remote Similarity NPC306884
0.6538 Remote Similarity NPC162314
0.6509 Remote Similarity NPC216520
0.6509 Remote Similarity NPC473388
0.6509 Remote Similarity NPC82664
0.6509 Remote Similarity NPC132271
0.6509 Remote Similarity NPC283711
0.6509 Remote Similarity NPC292730
0.6481 Remote Similarity NPC223393
0.6481 Remote Similarity NPC328793
0.6476 Remote Similarity NPC27323
0.6476 Remote Similarity NPC316301
0.6476 Remote Similarity NPC152415
0.6476 Remote Similarity NPC245187
0.6476 Remote Similarity NPC76938
0.6449 Remote Similarity NPC88420
0.6449 Remote Similarity NPC260000
0.6449 Remote Similarity NPC315921
0.6449 Remote Similarity NPC107619
0.6449 Remote Similarity NPC109955
0.6449 Remote Similarity NPC291789
0.6449 Remote Similarity NPC474073
0.6449 Remote Similarity NPC201967
0.6449 Remote Similarity NPC152097
0.6449 Remote Similarity NPC475078
0.6422 Remote Similarity NPC7686
0.6422 Remote Similarity NPC91461
0.6422 Remote Similarity NPC40258
0.6415 Remote Similarity NPC8392
0.6415 Remote Similarity NPC32714
0.6408 Remote Similarity NPC70436
0.64 Remote Similarity NPC23837
0.6389 Remote Similarity NPC280869
0.6389 Remote Similarity NPC92730
0.6389 Remote Similarity NPC260775
0.6389 Remote Similarity NPC307039
0.6389 Remote Similarity NPC128723
0.6389 Remote Similarity NPC132078
0.6389 Remote Similarity NPC131587
0.6389 Remote Similarity NPC80027
0.6389 Remote Similarity NPC245561
0.6389 Remote Similarity NPC78119
0.6389 Remote Similarity NPC314803
0.6389 Remote Similarity NPC216468
0.6389 Remote Similarity NPC171843
0.6389 Remote Similarity NPC51333
0.6364 Remote Similarity NPC68269
0.6355 Remote Similarity NPC312132
0.6355 Remote Similarity NPC202986
0.6355 Remote Similarity NPC259512
0.6346 Remote Similarity NPC318429
0.633 Remote Similarity NPC253746
0.633 Remote Similarity NPC52472
0.633 Remote Similarity NPC174911
0.633 Remote Similarity NPC130103
0.633 Remote Similarity NPC213730
0.633 Remote Similarity NPC248573
0.633 Remote Similarity NPC161571
0.633 Remote Similarity NPC248396
0.633 Remote Similarity NPC10588
0.633 Remote Similarity NPC70677
0.633 Remote Similarity NPC166761
0.633 Remote Similarity NPC72729
0.633 Remote Similarity NPC48730
0.633 Remote Similarity NPC129373
0.633 Remote Similarity NPC294741
0.633 Remote Similarity NPC275053
0.633 Remote Similarity NPC130756
0.633 Remote Similarity NPC12931
0.6321 Remote Similarity NPC289769
0.6306 Remote Similarity NPC471511
0.6306 Remote Similarity NPC323810
0.6306 Remote Similarity NPC93831
0.6306 Remote Similarity NPC52087
0.6296 Remote Similarity NPC32674
0.6296 Remote Similarity NPC156313
0.6296 Remote Similarity NPC6597
0.6296 Remote Similarity NPC225464
0.6296 Remote Similarity NPC79241
0.6296 Remote Similarity NPC77492
0.6273 Remote Similarity NPC143659
0.6273 Remote Similarity NPC12221
0.6273 Remote Similarity NPC80800
0.6273 Remote Similarity NPC110764
0.6273 Remote Similarity NPC94343
0.6273 Remote Similarity NPC284011
0.6273 Remote Similarity NPC72947
0.6273 Remote Similarity NPC101025
0.6273 Remote Similarity NPC100340
0.6273 Remote Similarity NPC472585
0.6273 Remote Similarity NPC471578
0.6262 Remote Similarity NPC222146
0.625 Remote Similarity NPC127676
0.625 Remote Similarity NPC292452
0.625 Remote Similarity NPC13495
0.6239 Remote Similarity NPC125732
0.6239 Remote Similarity NPC299762
0.6239 Remote Similarity NPC33675
0.6239 Remote Similarity NPC252821
0.6239 Remote Similarity NPC122005
0.6238 Remote Similarity NPC125306
0.6216 Remote Similarity NPC471228
0.6216 Remote Similarity NPC222522
0.6216 Remote Similarity NPC135784
0.6216 Remote Similarity NPC62351
0.6216 Remote Similarity NPC168303
0.6216 Remote Similarity NPC53051
0.6216 Remote Similarity NPC470202
0.6216 Remote Similarity NPC235762
0.6216 Remote Similarity NPC313030
0.6216 Remote Similarity NPC108497
0.6216 Remote Similarity NPC24404
0.6216 Remote Similarity NPC71002
0.6216 Remote Similarity NPC302219
0.6216 Remote Similarity NPC13426

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC277758 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
0.8925 High Similarity NPD9096 Approved
0.8925 High Similarity NPD9095 Approved
0.8925 High Similarity NPD9097 Approved
0.8925 High Similarity NPD68 Approved
0.8019 Intermediate Similarity NPD9299 Approved
0.8 Intermediate Similarity NPD9087 Approved
0.7841 Intermediate Similarity NPD9088 Approved
0.75 Intermediate Similarity NPD9089 Approved
0.7391 Intermediate Similarity NPD9093 Approved
0.7083 Intermediate Similarity NPD9073 Approved
0.7083 Intermediate Similarity NPD111 Approved
0.7041 Intermediate Similarity NPD9094 Approved
0.697 Remote Similarity NPD9295 Approved
0.6777 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6726 Remote Similarity NPD1105 Clinical (unspecified phase)
0.6635 Remote Similarity NPD9296 Approved
0.6635 Remote Similarity NPD2934 Approved
0.6635 Remote Similarity NPD2933 Approved
0.6583 Remote Similarity NPD3151 Clinical (unspecified phase)
0.6571 Remote Similarity NPD2860 Approved
0.6571 Remote Similarity NPD2859 Approved
0.6481 Remote Similarity NPD9248 Phase 1
0.6476 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6449 Remote Similarity NPD9273 Approved
0.6415 Remote Similarity NPD844 Approved
0.6389 Remote Similarity NPD3020 Approved
0.6381 Remote Similarity NPD845 Approved
0.6355 Remote Similarity NPD288 Approved
0.6346 Remote Similarity NPD9365 Approved
0.633 Remote Similarity NPD289 Clinical (unspecified phase)
0.633 Remote Similarity NPD1242 Phase 1
0.6325 Remote Similarity NPD475 Phase 2
0.6273 Remote Similarity NPD940 Approved
0.6273 Remote Similarity NPD846 Approved
0.625 Remote Similarity NPD7330 Discontinued
0.623 Remote Similarity NPD1671 Clinical (unspecified phase)
0.6186 Remote Similarity NPD911 Approved
0.6126 Remote Similarity NPD291 Approved
0.6111 Remote Similarity NPD1809 Phase 2
0.6083 Remote Similarity NPD7636 Approved
0.6082 Remote Similarity NPD9294 Approved
0.6066 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6063 Remote Similarity NPD1469 Clinical (unspecified phase)
0.6053 Remote Similarity NPD968 Approved
0.6034 Remote Similarity NPD3021 Approved
0.6034 Remote Similarity NPD3022 Approved
0.6018 Remote Similarity NPD9610 Approved
0.6018 Remote Similarity NPD9608 Approved
0.6 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6 Remote Similarity NPD9507 Approved
0.6 Remote Similarity NPD1803 Phase 3
0.5983 Remote Similarity NPD9280 Clinical (unspecified phase)
0.5948 Remote Similarity NPD74 Approved
0.5948 Remote Similarity NPD9266 Approved
0.5929 Remote Similarity NPD9500 Approved
0.5913 Remote Similarity NPD1444 Approved
0.5913 Remote Similarity NPD1445 Approved
0.5897 Remote Similarity NPD9380 Clinical (unspecified phase)
0.5893 Remote Similarity NPD3028 Approved
0.5887 Remote Similarity NPD2107 Clinical (unspecified phase)
0.5873 Remote Similarity NPD1244 Clinical (unspecified phase)
0.5862 Remote Similarity NPD9267 Approved
0.5862 Remote Similarity NPD9263 Approved
0.5862 Remote Similarity NPD9264 Approved
0.5798 Remote Similarity NPD228 Approved
0.5763 Remote Similarity NPD1792 Phase 2
0.5763 Remote Similarity NPD4750 Phase 3
0.5763 Remote Similarity NPD910 Approved
0.5755 Remote Similarity NPD3367 Clinical (unspecified phase)
0.575 Remote Similarity NPD9379 Approved
0.575 Remote Similarity NPD9377 Approved
0.5745 Remote Similarity NPD1787 Approved
0.5745 Remote Similarity NPD1785 Approved
0.5745 Remote Similarity NPD1786 Approved
0.5739 Remote Similarity NPD9501 Approved
0.5738 Remote Similarity NPD9342 Approved
0.5726 Remote Similarity NPD9552 Approved
0.5726 Remote Similarity NPD290 Approved
0.5726 Remote Similarity NPD2342 Discontinued
0.5714 Remote Similarity NPD9376 Approved
0.5714 Remote Similarity NPD4248 Discontinued
0.5714 Remote Similarity NPD2586 Clinical (unspecified phase)
0.5703 Remote Similarity NPD1158 Phase 2
0.5702 Remote Similarity NPD2234 Approved
0.5702 Remote Similarity NPD2229 Approved
0.5702 Remote Similarity NPD2228 Approved
0.5691 Remote Similarity NPD7325 Clinical (unspecified phase)
0.5667 Remote Similarity NPD6124 Clinical (unspecified phase)
0.5656 Remote Similarity NPD9614 Approved
0.5656 Remote Similarity NPD9618 Approved
0.5656 Remote Similarity NPD9281 Approved
0.5656 Remote Similarity NPD1476 Clinical (unspecified phase)
0.5635 Remote Similarity NPD3095 Discontinued
0.5635 Remote Similarity NPD1104 Approved
0.563 Remote Similarity NPD556 Approved
0.5625 Remote Similarity NPD522 Approved
0.562 Remote Similarity NPD7635 Approved
0.5614 Remote Similarity NPD3135 Clinical (unspecified phase)
0.561 Remote Similarity NPD6671 Approved
0.561 Remote Similarity NPD255 Approved
0.561 Remote Similarity NPD256 Approved
0.5603 Remote Similarity NPD9244 Approved
0.56 Remote Similarity NPD1759 Phase 1

Structure

External Identifiers

PubChem CID   4765
ChEMBL   CHEMBL1398657
ZINC  

Physicochemical Properties

Molecular Weight:  174.00
ALogP:  -1.0018
MLogP:  1.57
XLogP:  0.052
# Rotatable Bonds:  3
Polar Surface Area:  82.98
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  11

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs