Natural Product: NPC42657

Natural Product ID:  NPC42657
Common Name:   Podocaric Acid
IUPAC Name:   (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Synonyms:   Podocaric Acid; Podocarpic Acid
Molecular Formula:   C17H22O3
Standard InCHIKey:  VJILEYKNALCDDV-OIISXLGYSA-N
Standard InCHI:  InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
Canonical SMILES:  Oc1ccc2c(c1)[C@@]1(C)CCC[C@]([C@@H]1CC2)(C)C(=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
NPO3352 Dianthus barbatus Species Caryophyllaceae Eukaryota UNPD*
NPO28038 Banisteriopsis argentea Species Malpighiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1794 Individual Protein LXR-alpha Homo sapiens IC50 > 50000 nM 15911262
NPT1746 Individual Protein LXR-beta Homo sapiens IC50 > 50000 nM 15911262
NPT1794 Individual Protein LXR-alpha Homo sapiens EC50 > 50000 nM 15911262
NPT1746 Individual Protein LXR-beta Homo sapiens EC50 > 50000 nM 15911262
NPT2552 Individual Protein Calcium-activated potassium channel subunit alpha-1 Homo sapiens Activity = 206.9 % 18789683
NPT1794 Individual Protein LXR-alpha Homo sapiens LC50 > 50000 nM 16124770
NPT1746 Individual Protein LXR-beta Homo sapiens LC50 > 50000 nM 16124770
NPT1794 Individual Protein LXR-alpha Homo sapiens EC50 > 50000 nM 16124770
NPT1746 Individual Protein LXR-beta Homo sapiens EC50 > 50000 nM 16124770
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 1062.1 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -4.47 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -2.99 % 23062825
NPT742 Organism Influenza A virus Influenza A virus Activity < 50 % 25815159
NPT616 Cell Line MDCK Canis lupus familiaris CC50 = 91200 nM 25815159
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) EC50 = 18200 nM 25815159

  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 NPC42657 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
0.9565 High Similarity NPC249340
0.9565 High Similarity NPC162935
0.9478 High Similarity NPC241001
0.9391 High Similarity NPC318552
0.9391 High Similarity NPC190501
0.9316 High Similarity NPC121168
0.9145 High Similarity NPC32322
0.9145 High Similarity NPC259703
0.9068 High Similarity NPC253627
0.906 High Similarity NPC478121
0.9052 High Similarity NPC328694
0.8992 High Similarity NPC11250
0.8992 High Similarity NPC176208
0.8983 High Similarity NPC164852
0.8974 High Similarity NPC79933
0.8974 High Similarity NPC31296
0.8974 High Similarity NPC473974
0.8974 High Similarity NPC258366
0.8917 High Similarity NPC471187
0.8917 High Similarity NPC198014
0.8908 High Similarity NPC154696
0.8843 High Similarity NPC181334
0.8843 High Similarity NPC15127
0.8839 High Similarity NPC11554
0.878 High Similarity NPC262936
0.878 High Similarity NPC30491
0.8772 High Similarity NPC322753
0.877 High Similarity NPC87985
0.877 High Similarity NPC137750
0.877 High Similarity NPC137416
0.8684 High Similarity NPC95126
0.8684 High Similarity NPC141782
0.8684 High Similarity NPC475002
0.8667 High Similarity NPC21216
0.8661 High Similarity NPC49742
0.8651 High Similarity NPC243305
0.864 High Similarity NPC276238
0.8629 High Similarity NPC176130
0.8629 High Similarity NPC78364
0.8629 High Similarity NPC84672
0.8629 High Similarity NPC69424
0.8609 High Similarity NPC176279
0.8609 High Similarity NPC260323
0.856 High Similarity NPC229894
0.8548 High Similarity NPC71610
0.8547 High Similarity NPC268160
0.8547 High Similarity NPC195922
0.8534 High Similarity NPC250323
0.8527 High Similarity NPC43353
0.8525 High Similarity NPC478058
0.8522 High Similarity NPC13482
0.8516 High Similarity NPC475627
0.8516 High Similarity NPC475457
0.8516 High Similarity NPC475346
0.8516 High Similarity NPC18982
0.8516 High Similarity NPC476282
0.8504 High Similarity NPC18798
0.8492 Intermediate Similarity NPC117899
0.8492 Intermediate Similarity NPC131684
0.848 Intermediate Similarity NPC72667
0.8475 Intermediate Similarity NPC147179
0.8475 Intermediate Similarity NPC35797
0.8475 Intermediate Similarity NPC192948
0.8455 Intermediate Similarity NPC275145
0.845 Intermediate Similarity NPC293454
0.8448 Intermediate Similarity NPC77772
0.8448 Intermediate Similarity NPC95716
0.8425 Intermediate Similarity NPC108129
0.8417 Intermediate Similarity NPC48342
0.8417 Intermediate Similarity NPC164649
0.8413 Intermediate Similarity NPC193203
0.8403 Intermediate Similarity NPC38893
0.8403 Intermediate Similarity NPC219112
0.8403 Intermediate Similarity NPC471928
0.8403 Intermediate Similarity NPC471925
0.8403 Intermediate Similarity NPC471924
0.8403 Intermediate Similarity NPC308828
0.8403 Intermediate Similarity NPC308311
0.8403 Intermediate Similarity NPC471668
0.8403 Intermediate Similarity NPC477137
0.84 Intermediate Similarity NPC254492
0.84 Intermediate Similarity NPC269598
0.8397 Intermediate Similarity NPC471152
0.8387 Intermediate Similarity NPC10154
0.8387 Intermediate Similarity NPC199273
0.8387 Intermediate Similarity NPC265413
0.8385 Intermediate Similarity NPC477874
0.8385 Intermediate Similarity NPC173569
0.8385 Intermediate Similarity NPC279463
0.8385 Intermediate Similarity NPC472804
0.8376 Intermediate Similarity NPC46940
0.8359 Intermediate Similarity NPC258073
0.8359 Intermediate Similarity NPC471851
0.8346 Intermediate Similarity NPC303910
0.8346 Intermediate Similarity NPC171460
0.8333 Intermediate Similarity NPC325295
0.8333 Intermediate Similarity NPC76308
0.8333 Intermediate Similarity NPC477136
0.8333 Intermediate Similarity NPC16030
0.8333 Intermediate Similarity NPC172219
0.8333 Intermediate Similarity NPC471926
0.8333 Intermediate Similarity NPC304510
0.8321 Intermediate Similarity NPC249817
0.8319 Intermediate Similarity NPC120693
0.8319 Intermediate Similarity NPC8931
0.8319 Intermediate Similarity NPC261573
0.8308 Intermediate Similarity NPC477594
0.8308 Intermediate Similarity NPC213122
0.8308 Intermediate Similarity NPC194970
0.8305 Intermediate Similarity NPC715
0.8293 Intermediate Similarity NPC120545
0.8291 Intermediate Similarity NPC470770
0.8291 Intermediate Similarity NPC266937
0.8288 Intermediate Similarity NPC245561
0.8279 Intermediate Similarity NPC183339
0.8279 Intermediate Similarity NPC99734
0.8279 Intermediate Similarity NPC133389
0.8279 Intermediate Similarity NPC234337
0.8268 Intermediate Similarity NPC96024
0.8268 Intermediate Similarity NPC3009
0.8264 Intermediate Similarity NPC471671
0.8264 Intermediate Similarity NPC469609
0.8261 Intermediate Similarity NPC151477
0.8261 Intermediate Similarity NPC228737
0.8258 Intermediate Similarity NPC216940
0.8258 Intermediate Similarity NPC475482
0.8258 Intermediate Similarity NPC198621
0.8258 Intermediate Similarity NPC22676
0.825 Intermediate Similarity NPC469663
0.825 Intermediate Similarity NPC141001
0.825 Intermediate Similarity NPC92
0.825 Intermediate Similarity NPC212891
0.8244 Intermediate Similarity NPC477596
0.824 Intermediate Similarity NPC111088
0.824 Intermediate Similarity NPC474766
0.8235 Intermediate Similarity NPC471534
0.8235 Intermediate Similarity NPC221275
0.8231 Intermediate Similarity NPC78307
0.8231 Intermediate Similarity NPC477139
0.8226 Intermediate Similarity NPC91478
0.822 Intermediate Similarity NPC62867
0.822 Intermediate Similarity NPC177962
0.822 Intermediate Similarity NPC286222
0.8217 Intermediate Similarity NPC476847
0.8217 Intermediate Similarity NPC291001
0.8214 Intermediate Similarity NPC52472
0.8214 Intermediate Similarity NPC211885
0.8211 Intermediate Similarity NPC328504
0.8203 Intermediate Similarity NPC206028
0.8197 Intermediate Similarity NPC469644
0.8197 Intermediate Similarity NPC93071
0.8197 Intermediate Similarity NPC126002
0.8195 Intermediate Similarity NPC248287
0.8195 Intermediate Similarity NPC234548
0.819 Intermediate Similarity NPC31274
0.8182 Intermediate Similarity NPC472308
0.8174 Intermediate Similarity NPC188677
0.8168 Intermediate Similarity NPC27394
0.8168 Intermediate Similarity NPC202225
0.8167 Intermediate Similarity NPC469719
0.8162 Intermediate Similarity NPC477207
0.8154 Intermediate Similarity NPC165612
0.8148 Intermediate Similarity NPC272907
0.8148 Intermediate Similarity NPC2681
0.8145 Intermediate Similarity NPC77569
0.8145 Intermediate Similarity NPC369
0.8145 Intermediate Similarity NPC293831
0.8145 Intermediate Similarity NPC142198
0.8136 Intermediate Similarity NPC471188
0.8134 Intermediate Similarity NPC79372
0.813 Intermediate Similarity NPC260832
0.813 Intermediate Similarity NPC135467
0.8125 Intermediate Similarity NPC92730
0.812 Intermediate Similarity NPC477592
0.812 Intermediate Similarity NPC58865
0.811 Intermediate Similarity NPC471935
0.811 Intermediate Similarity NPC471930
0.811 Intermediate Similarity NPC471929
0.8106 Intermediate Similarity NPC252343
0.8106 Intermediate Similarity NPC153088
0.8103 Intermediate Similarity NPC320439
0.8099 Intermediate Similarity NPC137496
0.8099 Intermediate Similarity NPC247858
0.8099 Intermediate Similarity NPC474387
0.8099 Intermediate Similarity NPC257540
0.8099 Intermediate Similarity NPC474358
0.8099 Intermediate Similarity NPC154511
0.8095 Intermediate Similarity NPC75432
0.8095 Intermediate Similarity NPC474532
0.8095 Intermediate Similarity NPC471927
0.8092 Intermediate Similarity NPC111845
0.8088 Intermediate Similarity NPC477873
0.8088 Intermediate Similarity NPC469447
0.8087 Intermediate Similarity NPC117115
0.808 Intermediate Similarity NPC283514
0.808 Intermediate Similarity NPC164947
0.808 Intermediate Similarity NPC244351
0.808 Intermediate Similarity NPC282577
0.8074 Intermediate Similarity NPC3218
0.8074 Intermediate Similarity NPC172311

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC42657 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
0.9391 High Similarity NPD3019 Approved
0.9224 High Similarity NPD2932 Approved
0.8952 High Similarity NPD6663 Approved
0.8934 High Similarity NPD5736 Approved
0.8667 High Similarity NPD3026 Approved
0.8667 High Similarity NPD3023 Approved
0.8655 High Similarity NPD3024 Approved
0.8655 High Similarity NPD3025 Approved
0.8417 Intermediate Similarity NPD3091 Approved
0.8279 Intermediate Similarity NPD4059 Approved
0.824 Intermediate Similarity NPD1283 Approved
0.8217 Intermediate Similarity NPD8032 Phase 2
0.8148 Intermediate Similarity NPD8166 Discontinued
0.8145 Intermediate Similarity NPD3092 Approved
0.8125 Intermediate Similarity NPD3020 Approved
0.8083 Intermediate Similarity NPD5951 Approved
0.8 Intermediate Similarity NPD1201 Approved
0.8 Intermediate Similarity NPD1281 Approved
0.7984 Intermediate Similarity NPD3095 Discontinued
0.7928 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD3094 Phase 2
0.7883 Intermediate Similarity NPD7003 Approved
0.7879 Intermediate Similarity NPD4140 Approved
0.7857 Intermediate Similarity NPD2860 Approved
0.7857 Intermediate Similarity NPD2859 Approved
0.7852 Intermediate Similarity NPD5408 Approved
0.7852 Intermediate Similarity NPD5405 Approved
0.7852 Intermediate Similarity NPD5406 Approved
0.7852 Intermediate Similarity NPD5404 Approved
0.7826 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7815 Intermediate Similarity NPD3022 Approved
0.7815 Intermediate Similarity NPD3021 Approved
0.7797 Intermediate Similarity NPD2342 Discontinued
0.7769 Intermediate Similarity NPD7635 Approved
0.7768 Intermediate Similarity NPD2934 Approved
0.7768 Intermediate Similarity NPD2933 Approved
0.776 Intermediate Similarity NPD1651 Approved
0.776 Intermediate Similarity NPD4093 Discontinued
0.7752 Intermediate Similarity NPD1470 Approved
0.773 Intermediate Similarity NPD6273 Approved
0.7727 Intermediate Similarity NPD3764 Approved
0.7698 Intermediate Similarity NPD4626 Approved
0.7698 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7698 Intermediate Similarity NPD1751 Approved
0.7652 Intermediate Similarity NPD7095 Approved
0.7647 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7642 Intermediate Similarity NPD2629 Approved
0.7632 Intermediate Similarity NPD288 Approved
0.7612 Intermediate Similarity NPD2979 Phase 3
0.7586 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD256 Approved
0.7581 Intermediate Similarity NPD255 Approved
0.7576 Intermediate Similarity NPD2605 Approved
0.7576 Intermediate Similarity NPD2606 Approved
0.7559 Intermediate Similarity NPD2286 Discontinued
0.7557 Intermediate Similarity NPD4624 Approved
0.7544 Intermediate Similarity NPD844 Approved
0.7544 Intermediate Similarity NPD1809 Phase 2
0.7519 Intermediate Similarity NPD5155 Approved
0.7519 Intermediate Similarity NPD1608 Approved
0.7519 Intermediate Similarity NPD5156 Approved
0.75 Intermediate Similarity NPD3635 Approved
0.75 Intermediate Similarity NPD3636 Approved
0.75 Intermediate Similarity NPD3637 Approved
0.7481 Intermediate Similarity NPD4060 Phase 1
0.7481 Intermediate Similarity NPD2797 Approved
0.7481 Intermediate Similarity NPD1164 Approved
0.748 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD1755 Approved
0.7444 Intermediate Similarity NPD3595 Approved
0.7444 Intermediate Similarity NPD3594 Approved
0.7438 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD1088 Approved
0.7424 Intermediate Similarity NPD2194 Approved
0.7424 Intermediate Similarity NPD2195 Approved
0.7391 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD4750 Phase 3
0.7377 Intermediate Similarity NPD1792 Phase 2
0.7376 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD4110 Phase 3
0.7376 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD845 Approved
0.7355 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD3620 Phase 2
0.735 Intermediate Similarity NPD2066 Phase 3
0.7344 Intermediate Similarity NPD5691 Approved
0.7344 Intermediate Similarity NPD5585 Approved
0.7338 Intermediate Similarity NPD6100 Approved
0.7338 Intermediate Similarity NPD6099 Approved
0.7338 Intermediate Similarity NPD2531 Phase 2
0.7338 Intermediate Similarity NPD2438 Suspended
0.7338 Intermediate Similarity NPD2935 Discontinued
0.7328 Intermediate Similarity NPD5327 Phase 3
0.7328 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD257 Approved
0.7293 Intermediate Similarity NPD258 Approved
0.7287 Intermediate Similarity NPD17 Approved
0.728 Intermediate Similarity NPD2229 Approved
0.728 Intermediate Similarity NPD2234 Approved
0.728 Intermediate Similarity NPD2228 Approved
0.7266 Intermediate Similarity NPD7742 Approved
0.7266 Intermediate Similarity NPD7743 Approved
0.7259 Intermediate Similarity NPD7008 Discontinued
0.7259 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD1090 Approved
0.7257 Intermediate Similarity NPD1086 Approved
0.7257 Intermediate Similarity NPD1089 Approved
0.725 Intermediate Similarity NPD5909 Discontinued
0.7246 Intermediate Similarity NPD4097 Suspended
0.7244 Intermediate Similarity NPD9568 Approved
0.7231 Intermediate Similarity NPD3847 Discontinued
0.7226 Intermediate Similarity NPD6346 Approved
0.7222 Intermediate Similarity NPD7390 Discontinued
0.7218 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD4477 Approved
0.7214 Intermediate Similarity NPD4476 Approved
0.7211 Intermediate Similarity NPD7458 Discontinued
0.7206 Intermediate Similarity NPD6798 Discontinued
0.7206 Intermediate Similarity NPD3268 Approved
0.72 Intermediate Similarity NPD5535 Approved
0.7185 Intermediate Similarity NPD2614 Approved
0.7181 Intermediate Similarity NPD37 Approved
0.7176 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD1535 Discovery
0.7176 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6355 Discontinued
0.7174 Intermediate Similarity NPD5735 Approved
0.7172 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD800 Approved
0.7167 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD1929 Approved
0.7167 Intermediate Similarity NPD1930 Approved
0.7165 Intermediate Similarity NPD4198 Discontinued
0.7163 Intermediate Similarity NPD2346 Discontinued
0.7155 Intermediate Similarity NPD1693 Approved
0.7154 Intermediate Similarity NPD1778 Approved
0.7143 Intermediate Similarity NPD1242 Phase 1
0.7143 Intermediate Similarity NPD2799 Discontinued
0.7133 Intermediate Similarity NPD4628 Phase 3
0.7132 Intermediate Similarity NPD9545 Approved
0.7132 Intermediate Similarity NPD1894 Discontinued
0.7131 Intermediate Similarity NPD1444 Approved
0.7131 Intermediate Similarity NPD1445 Approved
0.7122 Intermediate Similarity NPD6353 Approved
0.7121 Intermediate Similarity NPD1481 Phase 2
0.7121 Intermediate Similarity NPD3972 Approved
0.7117 Intermediate Similarity NPD111 Approved
0.7101 Intermediate Similarity NPD825 Approved
0.7101 Intermediate Similarity NPD826 Approved
0.7095 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD940 Approved
0.7083 Intermediate Similarity NPD846 Approved
0.7069 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD4359 Approved
0.7063 Intermediate Similarity NPD3638 Discontinued
0.7059 Intermediate Similarity NPD6234 Discontinued
0.7047 Intermediate Similarity NPD7028 Phase 2
0.7043 Intermediate Similarity NPD1239 Approved
0.7042 Intermediate Similarity NPD4726 Approved
0.7042 Intermediate Similarity NPD4725 Approved
0.7042 Intermediate Similarity NPD4721 Approved
0.7039 Intermediate Similarity NPD4966 Approved
0.7039 Intermediate Similarity NPD4967 Phase 2
0.7039 Intermediate Similarity NPD4965 Approved
0.7037 Intermediate Similarity NPD2798 Approved
0.7034 Intermediate Similarity NPD1566 Phase 3
0.7034 Intermediate Similarity NPD1565 Approved
0.7034 Intermediate Similarity NPD3300 Phase 2
0.7034 Intermediate Similarity NPD1564 Approved
0.7029 Intermediate Similarity NPD6233 Phase 2
0.7023 Intermediate Similarity NPD4589 Approved
0.7016 Intermediate Similarity NPD9266 Approved
0.7016 Intermediate Similarity NPD74 Approved
0.7015 Intermediate Similarity NPD1876 Approved
0.7014 Intermediate Similarity NPD3750 Approved
0.7 Intermediate Similarity NPD1759 Phase 1
0.6993 Remote Similarity NPD4534 Discontinued
0.6993 Remote Similarity NPD970 Clinical (unspecified phase)
0.6991 Remote Similarity NPD1087 Approved
0.6986 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6985 Remote Similarity NPD9569 Approved
0.6984 Remote Similarity NPD6124 Clinical (unspecified phase)
0.698 Remote Similarity NPD3226 Approved
0.6977 Remote Similarity NPD9493 Approved
0.6977 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6968 Remote Similarity NPD8127 Discontinued
0.6959 Remote Similarity NPD7427 Discontinued
0.6944 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6935 Remote Similarity NPD9263 Approved
0.6935 Remote Similarity NPD9267 Approved
0.6935 Remote Similarity NPD9264 Approved
0.6929 Remote Similarity NPD274 Approved
0.6929 Remote Similarity NPD275 Approved
0.6929 Remote Similarity NPD7094 Approved
0.6929 Remote Similarity NPD6858 Approved

Structure

External Identifiers

PubChem CID   93017
ChEMBL   CHEMBL421115
ZINC  

Physicochemical Properties

Molecular Weight:  274.16
ALogP:  -0.1318
MLogP:  3
XLogP:  4.528
# Rotatable Bonds:  5
Polar Surface Area:  57.53
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  20

Download Data

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