Natural Product: NPC475245

Natural Product ID:  NPC475245
Common Name:   Peltatol A
IUPAC Name:   3-[2,3-dihydroxy-5-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]phenyl]-5-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
Synonyms:  
Molecular Formula:   C42H58O4
Standard InCHIKey:  FBBLBOYXADGJGC-RWRHWQIFSA-N
Standard InCHI:  InChI=1S/C42H58O4/c1-11-41(9,23-15-21-31(7)19-13-17-29(3)4)33-25-35(39(45)37(43)27-33)36-26-34(28-38(44)40(36)46)42(10,12-2)24-16-22-32(8)20-14-18-30(5)6/h11-12,17-18,21-22,25-28,43-46H,1-2,13-16,19-20,23-24H2,3-10H3/b31-21+,32-22+
Canonical SMILES:  C=CC(c1cc(O)c(c(c1)c1cc(cc(c1O)O)C(CC/C=C(/CCC=C(C)C)C)(C=C)C)O)(CC/C=C(/CCC=C(C)C)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
NPO10274 Pothomorphe peltata NA NA NA Dominican Republic PMID[11430019]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 = 4 PubChem BioAssay data set
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 8000 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 NPC475245 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
0.916 High Similarity NPC53567
0.8992 High Similarity NPC237667
0.8908 High Similarity NPC24125
0.8889 High Similarity NPC277588
0.885 High Similarity NPC228343
0.885 High Similarity NPC254833
0.8793 High Similarity NPC12656
0.875 High Similarity NPC477814
0.8739 High Similarity NPC191866
0.8739 High Similarity NPC217174
0.8739 High Similarity NPC176893
0.8729 High Similarity NPC16030
0.871 High Similarity NPC21563
0.871 High Similarity NPC476536
0.8678 High Similarity NPC39029
0.8661 High Similarity NPC138942
0.8661 High Similarity NPC219286
0.8661 High Similarity NPC99557
0.8655 High Similarity NPC144343
0.8632 High Similarity NPC120280
0.8632 High Similarity NPC473137
0.8618 High Similarity NPC224342
0.8607 High Similarity NPC471794
0.8596 High Similarity NPC233835
0.8596 High Similarity NPC95344
0.8594 High Similarity NPC474453
0.8571 High Similarity NPC120719
0.8571 High Similarity NPC288411
0.8571 High Similarity NPC471511
0.8547 High Similarity NPC471485
0.8534 High Similarity NPC308689
0.8504 High Similarity NPC143483
0.8496 Intermediate Similarity NPC239291
0.8492 Intermediate Similarity NPC472968
0.8482 Intermediate Similarity NPC168829
0.8482 Intermediate Similarity NPC196479
0.8462 Intermediate Similarity NPC471179
0.8462 Intermediate Similarity NPC43525
0.8448 Intermediate Similarity NPC174096
0.8448 Intermediate Similarity NPC147634
0.8448 Intermediate Similarity NPC226401
0.8448 Intermediate Similarity NPC44732
0.8448 Intermediate Similarity NPC296683
0.8448 Intermediate Similarity NPC120982
0.8448 Intermediate Similarity NPC79793
0.8421 Intermediate Similarity NPC54765
0.8403 Intermediate Similarity NPC472893
0.8376 Intermediate Similarity NPC476632
0.8376 Intermediate Similarity NPC225679
0.8376 Intermediate Similarity NPC165770
0.8376 Intermediate Similarity NPC187583
0.8376 Intermediate Similarity NPC268032
0.8376 Intermediate Similarity NPC4493
0.8376 Intermediate Similarity NPC179002
0.8376 Intermediate Similarity NPC257430
0.8376 Intermediate Similarity NPC151537
0.8376 Intermediate Similarity NPC95716
0.8362 Intermediate Similarity NPC62258
0.8362 Intermediate Similarity NPC55617
0.8361 Intermediate Similarity NPC472071
0.8361 Intermediate Similarity NPC223451
0.8333 Intermediate Similarity NPC141001
0.8319 Intermediate Similarity NPC195922
0.8319 Intermediate Similarity NPC107240
0.8308 Intermediate Similarity NPC170185
0.8305 Intermediate Similarity NPC228425
0.8305 Intermediate Similarity NPC46940
0.8304 Intermediate Similarity NPC223393
0.8304 Intermediate Similarity NPC225506
0.8295 Intermediate Similarity NPC15543
0.8295 Intermediate Similarity NPC312341
0.8291 Intermediate Similarity NPC13482
0.8276 Intermediate Similarity NPC262365
0.8264 Intermediate Similarity NPC470760
0.8235 Intermediate Similarity NPC317869
0.8235 Intermediate Similarity NPC117846
0.8231 Intermediate Similarity NPC303144
0.822 Intermediate Similarity NPC297657
0.8214 Intermediate Similarity NPC122005
0.8214 Intermediate Similarity NPC252821
0.8214 Intermediate Similarity NPC92730
0.8205 Intermediate Similarity NPC58865
0.8197 Intermediate Similarity NPC469609
0.819 Intermediate Similarity NPC320439
0.8182 Intermediate Similarity NPC115808
0.8182 Intermediate Similarity NPC152209
0.8182 Intermediate Similarity NPC256262
0.8158 Intermediate Similarity NPC269212
0.8151 Intermediate Similarity NPC62867
0.8151 Intermediate Similarity NPC250323
0.8151 Intermediate Similarity NPC177962
0.8151 Intermediate Similarity NPC166995
0.8136 Intermediate Similarity NPC141782
0.813 Intermediate Similarity NPC469644
0.813 Intermediate Similarity NPC151197
0.8125 Intermediate Similarity NPC109955
0.8125 Intermediate Similarity NPC225464
0.8125 Intermediate Similarity NPC252131
0.812 Intermediate Similarity NPC105727
0.812 Intermediate Similarity NPC63698
0.812 Intermediate Similarity NPC61885
0.812 Intermediate Similarity NPC58427
0.812 Intermediate Similarity NPC114392
0.812 Intermediate Similarity NPC34864
0.8115 Intermediate Similarity NPC145023
0.8115 Intermediate Similarity NPC299180
0.8115 Intermediate Similarity NPC304510
0.8115 Intermediate Similarity NPC200988
0.8115 Intermediate Similarity NPC278652
0.8115 Intermediate Similarity NPC172219
0.8115 Intermediate Similarity NPC610
0.8115 Intermediate Similarity NPC175799
0.811 Intermediate Similarity NPC33654
0.8106 Intermediate Similarity NPC49603
0.8106 Intermediate Similarity NPC193026
0.8106 Intermediate Similarity NPC187616
0.8103 Intermediate Similarity NPC271274
0.8103 Intermediate Similarity NPC155072
0.8103 Intermediate Similarity NPC469913
0.8099 Intermediate Similarity NPC474486
0.8095 Intermediate Similarity NPC473451
0.8092 Intermediate Similarity NPC228843
0.8092 Intermediate Similarity NPC59239
0.8087 Intermediate Similarity NPC12278
0.8083 Intermediate Similarity NPC23804
0.8083 Intermediate Similarity NPC715
0.8077 Intermediate Similarity NPC99795
0.8074 Intermediate Similarity NPC198038
0.8074 Intermediate Similarity NPC234568
0.807 Intermediate Similarity NPC252105
0.8067 Intermediate Similarity NPC260323
0.8067 Intermediate Similarity NPC176279
0.8067 Intermediate Similarity NPC470770
0.8067 Intermediate Similarity NPC266937
0.8067 Intermediate Similarity NPC77772
0.8065 Intermediate Similarity NPC117780
0.8065 Intermediate Similarity NPC165133
0.8065 Intermediate Similarity NPC95614
0.8065 Intermediate Similarity NPC56214
0.8065 Intermediate Similarity NPC232316
0.8065 Intermediate Similarity NPC227217
0.8065 Intermediate Similarity NPC242885
0.8062 Intermediate Similarity NPC28765
0.8062 Intermediate Similarity NPC154866
0.8049 Intermediate Similarity NPC471671
0.8049 Intermediate Similarity NPC470626
0.8049 Intermediate Similarity NPC86198
0.8034 Intermediate Similarity NPC54844
0.8034 Intermediate Similarity NPC151477
0.8034 Intermediate Similarity NPC176527
0.8033 Intermediate Similarity NPC471668
0.8033 Intermediate Similarity NPC308828
0.8031 Intermediate Similarity NPC146355
0.8031 Intermediate Similarity NPC257682
0.8031 Intermediate Similarity NPC131747
0.8017 Intermediate Similarity NPC268160
0.8017 Intermediate Similarity NPC471534
0.8017 Intermediate Similarity NPC47284
0.8016 Intermediate Similarity NPC85488
0.8015 Intermediate Similarity NPC78575
0.8015 Intermediate Similarity NPC232275
0.8015 Intermediate Similarity NPC35216
0.8 Intermediate Similarity NPC108497
0.8 Intermediate Similarity NPC286222
0.8 Intermediate Similarity NPC470414
0.7985 Intermediate Similarity NPC477939
0.7985 Intermediate Similarity NPC10737
0.7985 Intermediate Similarity NPC143139
0.7985 Intermediate Similarity NPC54743
0.7985 Intermediate Similarity NPC68292
0.7985 Intermediate Similarity NPC202846
0.7985 Intermediate Similarity NPC156502
0.7985 Intermediate Similarity NPC177160
0.7985 Intermediate Similarity NPC29799
0.7985 Intermediate Similarity NPC263367
0.7985 Intermediate Similarity NPC209985
0.7984 Intermediate Similarity NPC106511
0.7984 Intermediate Similarity NPC470214
0.7984 Intermediate Similarity NPC70084
0.7984 Intermediate Similarity NPC236791
0.7984 Intermediate Similarity NPC74817
0.7984 Intermediate Similarity NPC109371
0.7984 Intermediate Similarity NPC159968
0.7984 Intermediate Similarity NPC246620
0.7984 Intermediate Similarity NPC471077
0.7984 Intermediate Similarity NPC124452
0.7984 Intermediate Similarity NPC165045
0.7984 Intermediate Similarity NPC470215
0.7984 Intermediate Similarity NPC324112
0.7984 Intermediate Similarity NPC293054
0.7984 Intermediate Similarity NPC266555
0.7984 Intermediate Similarity NPC82679
0.7984 Intermediate Similarity NPC310338
0.7984 Intermediate Similarity NPC126002
0.7984 Intermediate Similarity NPC118533
0.7984 Intermediate Similarity NPC282000
0.7984 Intermediate Similarity NPC169474
0.7984 Intermediate Similarity NPC5428
0.7984 Intermediate Similarity NPC281298
0.7984 Intermediate Similarity NPC93071

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475245 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
0.885 High Similarity NPD3022 Approved
0.885 High Similarity NPD3021 Approved
0.8151 Intermediate Similarity NPD7635 Approved
0.8053 Intermediate Similarity NPD3020 Approved
0.7982 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7946 Intermediate Similarity NPD2859 Approved
0.7946 Intermediate Similarity NPD2860 Approved
0.7946 Intermediate Similarity NPD1809 Phase 2
0.7857 Intermediate Similarity NPD2934 Approved
0.7857 Intermediate Similarity NPD2933 Approved
0.7857 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7731 Intermediate Similarity NPD2342 Discontinued
0.7727 Intermediate Similarity NPD3027 Phase 3
0.7692 Intermediate Similarity NPD3094 Phase 2
0.7656 Intermediate Similarity NPD3092 Approved
0.7652 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD844 Approved
0.7623 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD845 Approved
0.7607 Intermediate Similarity NPD846 Approved
0.7607 Intermediate Similarity NPD940 Approved
0.7603 Intermediate Similarity NPD4750 Phase 3
0.7576 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7565 Intermediate Similarity NPD288 Approved
0.7541 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD1242 Phase 1
0.75 Intermediate Similarity NPD4589 Approved
0.75 Intermediate Similarity NPD5283 Phase 1
0.75 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD3091 Approved
0.748 Intermediate Similarity NPD228 Approved
0.7426 Intermediate Similarity NPD1613 Approved
0.7426 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD2932 Approved
0.7364 Intermediate Similarity NPD4059 Approved
0.7364 Intermediate Similarity NPD3019 Approved
0.7361 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD5311 Approved
0.7348 Intermediate Similarity NPD8651 Approved
0.7348 Intermediate Similarity NPD5310 Approved
0.7324 Intermediate Similarity NPD8166 Discontinued
0.7319 Intermediate Similarity NPD5314 Approved
0.7302 Intermediate Similarity NPD497 Approved
0.7299 Intermediate Similarity NPD4060 Phase 1
0.7299 Intermediate Similarity NPD3620 Phase 2
0.7299 Intermediate Similarity NPD3061 Approved
0.7299 Intermediate Similarity NPD3062 Approved
0.7299 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD3059 Approved
0.7299 Intermediate Similarity NPD943 Approved
0.7293 Intermediate Similarity NPD3055 Approved
0.7293 Intermediate Similarity NPD3053 Approved
0.728 Intermediate Similarity NPD9379 Approved
0.728 Intermediate Similarity NPD9377 Approved
0.7273 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD6671 Approved
0.7241 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD7266 Discontinued
0.7231 Intermediate Similarity NPD9381 Approved
0.7231 Intermediate Similarity NPD3095 Discontinued
0.7231 Intermediate Similarity NPD9384 Approved
0.7231 Intermediate Similarity NPD2286 Discontinued
0.7222 Intermediate Similarity NPD496 Approved
0.7222 Intermediate Similarity NPD498 Approved
0.7222 Intermediate Similarity NPD495 Approved
0.7218 Intermediate Similarity NPD6696 Suspended
0.7209 Intermediate Similarity NPD5303 Approved
0.7209 Intermediate Similarity NPD5304 Approved
0.7209 Intermediate Similarity NPD7330 Discontinued
0.7206 Intermediate Similarity NPD4625 Phase 3
0.7188 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD2861 Phase 2
0.7172 Intermediate Similarity NPD2420 Approved
0.7172 Intermediate Similarity NPD2421 Approved
0.7164 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD4093 Discontinued
0.7153 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD9622 Approved
0.7109 Intermediate Similarity NPD7157 Approved
0.7099 Intermediate Similarity NPD1751 Approved
0.7087 Intermediate Similarity NPD2234 Approved
0.7087 Intermediate Similarity NPD4869 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD2228 Approved
0.7087 Intermediate Similarity NPD2229 Approved
0.7083 Intermediate Similarity NPD3028 Approved
0.708 Intermediate Similarity NPD7095 Approved
0.7059 Intermediate Similarity NPD5736 Approved
0.7054 Intermediate Similarity NPD111 Approved
0.704 Intermediate Similarity NPD1792 Phase 2
0.7014 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD4908 Phase 1
0.6992 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6992 Remote Similarity NPD1201 Approved
0.6985 Remote Similarity NPD9621 Approved
0.6985 Remote Similarity NPD9619 Approved
0.6985 Remote Similarity NPD9620 Approved
0.6985 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6978 Remote Similarity NPD6405 Approved
0.6978 Remote Similarity NPD6407 Approved
0.6974 Remote Similarity NPD2393 Clinical (unspecified phase)
0.697 Remote Similarity NPD4626 Approved
0.694 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6935 Remote Similarity NPD1445 Approved
0.6935 Remote Similarity NPD1444 Approved
0.6934 Remote Similarity NPD3018 Phase 2
0.6929 Remote Similarity NPD1558 Phase 1
0.6923 Remote Similarity NPD1632 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5408 Approved
0.6923 Remote Similarity NPD5404 Approved
0.6923 Remote Similarity NPD5406 Approved
0.6923 Remote Similarity NPD5405 Approved
0.6917 Remote Similarity NPD3026 Approved
0.6917 Remote Similarity NPD3023 Approved
0.6912 Remote Similarity NPD1470 Approved
0.6906 Remote Similarity NPD601 Approved
0.6906 Remote Similarity NPD598 Approved
0.6906 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6906 Remote Similarity NPD597 Approved
0.6899 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6894 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6894 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6894 Remote Similarity NPD3024 Approved
0.6894 Remote Similarity NPD3025 Approved
0.6879 Remote Similarity NPD5735 Approved
0.6875 Remote Similarity NPD7843 Approved
0.6871 Remote Similarity NPD3845 Phase 1
0.6866 Remote Similarity NPD1610 Phase 2
0.6861 Remote Similarity NPD2195 Approved
0.6861 Remote Similarity NPD258 Approved
0.6861 Remote Similarity NPD2194 Approved
0.6861 Remote Similarity NPD257 Approved
0.6857 Remote Similarity NPD6663 Approved
0.6857 Remote Similarity NPD1136 Approved
0.6857 Remote Similarity NPD1132 Approved
0.6857 Remote Similarity NPD1130 Approved
0.6853 Remote Similarity NPD651 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6838 Remote Similarity NPD9634 Clinical (unspecified phase)
0.6835 Remote Similarity NPD5156 Approved
0.6835 Remote Similarity NPD5155 Approved
0.6831 Remote Similarity NPD4097 Suspended
0.6831 Remote Similarity NPD823 Approved
0.6831 Remote Similarity NPD817 Approved
0.6824 Remote Similarity NPD7390 Discontinued
0.6818 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6812 Remote Similarity NPD3636 Approved
0.6812 Remote Similarity NPD3635 Approved
0.6812 Remote Similarity NPD3637 Approved
0.6806 Remote Similarity NPD2935 Discontinued
0.6794 Remote Similarity NPD7636 Approved
0.6791 Remote Similarity NPD3143 Discontinued
0.6788 Remote Similarity NPD1164 Approved
0.6781 Remote Similarity NPD6674 Discontinued
0.6769 Remote Similarity NPD1793 Approved
0.6769 Remote Similarity NPD1791 Approved
0.6767 Remote Similarity NPD1357 Approved
0.6767 Remote Similarity NPD1651 Approved
0.6765 Remote Similarity NPD2983 Phase 2
0.6765 Remote Similarity NPD1669 Approved
0.6765 Remote Similarity NPD2982 Phase 2
0.6765 Remote Similarity NPD4749 Approved
0.6763 Remote Similarity NPD2605 Approved
0.6763 Remote Similarity NPD2606 Approved
0.6742 Remote Similarity NPD5536 Phase 2
0.6741 Remote Similarity NPD3705 Approved
0.6741 Remote Similarity NPD1611 Approved
0.6739 Remote Similarity NPD4624 Approved
0.6736 Remote Similarity NPD7742 Approved
0.6736 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6736 Remote Similarity NPD7743 Approved
0.6735 Remote Similarity NPD3400 Discontinued
0.6718 Remote Similarity NPD6387 Discontinued
0.6718 Remote Similarity NPD709 Approved
0.6715 Remote Similarity NPD1283 Approved
0.6711 Remote Similarity NPD1511 Approved
0.6694 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6694 Remote Similarity NPD9500 Approved
0.6693 Remote Similarity NPD2684 Approved
0.6692 Remote Similarity NPD7741 Discontinued
0.6692 Remote Similarity NPD1548 Phase 1
0.6691 Remote Similarity NPD9269 Phase 2
0.6691 Remote Similarity NPD2233 Approved
0.6691 Remote Similarity NPD2981 Phase 2
0.6691 Remote Similarity NPD2232 Approved
0.6691 Remote Similarity NPD3070 Discontinued
0.6691 Remote Similarity NPD2230 Approved
0.669 Remote Similarity NPD6346 Approved
0.669 Remote Similarity NPD825 Approved
0.669 Remote Similarity NPD826 Approved
0.6689 Remote Similarity NPD6190 Approved
0.6688 Remote Similarity NPD1934 Approved
0.6667 Remote Similarity NPD6232 Discontinued
0.6667 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4538 Approved
0.6667 Remote Similarity NPD6896 Approved
0.6667 Remote Similarity NPD3645 Discontinued

Structure

External Identifiers

PubChem CID   5467341
ChEMBL   CHEMBL501906
ZINC  

Physicochemical Properties

Molecular Weight:  626.43
ALogP:  6.331
MLogP:  5.64
XLogP:  13.286
# Rotatable Bonds:  29
Polar Surface Area:  80.92
# H-Bond Aceptor:  0
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  46

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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