Natural Product: NPC288290

Natural Product ID:  NPC288290
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H32O3
Standard InCHIKey:  PQZMZRVBJLKEFN-MEWNVRQFSA-N
Standard InCHI:  InChI=1S/C24H32O3/c1-15(2)18-11-13-23(3)19-12-14-24(23,4)22(21(18)19)27-20(26)10-7-16-5-8-17(25)9-6-16/h5-10,15,18-19,21-22,25H,11-14H2,1-4H3/b10-7+/t18-,19-,21-,22+,23+,24+/m0/s1
Canonical SMILES:  O=C(O[C@@H]1[C@H]2[C@@H](CC[C@]3([C@]1(C)CC[C@@H]23)C)C(C)C)/C=C/c1ccc(cc1)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
NPO11344.1 Pilea cavaleriei Under-species NA NA PMID[19700322]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 = 41.72 ug/ml 16134928

  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 NPC288290 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
0.9308 High Similarity NPC476699
0.9008 High Similarity NPC11266
0.8968 High Similarity NPC265413
0.8968 High Similarity NPC10154
0.8769 High Similarity NPC30174
0.8769 High Similarity NPC86257
0.8741 High Similarity NPC248287
0.8741 High Similarity NPC234548
0.8672 High Similarity NPC474532
0.8613 High Similarity NPC473612
0.8603 High Similarity NPC116742
0.8603 High Similarity NPC139243
0.8551 High Similarity NPC35212
0.854 High Similarity NPC470616
0.854 High Similarity NPC470617
0.8489 Intermediate Similarity NPC252133
0.8489 Intermediate Similarity NPC310621
0.8462 Intermediate Similarity NPC137416
0.8443 Intermediate Similarity NPC139946
0.8425 Intermediate Similarity NPC68339
0.84 Intermediate Similarity NPC154511
0.84 Intermediate Similarity NPC247858
0.84 Intermediate Similarity NPC474387
0.84 Intermediate Similarity NPC257540
0.84 Intermediate Similarity NPC137496
0.84 Intermediate Similarity NPC474358
0.8382 Intermediate Similarity NPC477874
0.8382 Intermediate Similarity NPC173569
0.8372 Intermediate Similarity NPC478058
0.8357 Intermediate Similarity NPC235557
0.8321 Intermediate Similarity NPC249817
0.831 Intermediate Similarity NPC8102
0.831 Intermediate Similarity NPC66894
0.8309 Intermediate Similarity NPC194970
0.8298 Intermediate Similarity NPC26045
0.8268 Intermediate Similarity NPC164649
0.8268 Intermediate Similarity NPC48342
0.8261 Intermediate Similarity NPC216940
0.8261 Intermediate Similarity NPC475482
0.8261 Intermediate Similarity NPC22676
0.8261 Intermediate Similarity NPC198621
0.8239 Intermediate Similarity NPC280717
0.8239 Intermediate Similarity NPC235195
0.8239 Intermediate Similarity NPC271607
0.8239 Intermediate Similarity NPC19862
0.8217 Intermediate Similarity NPC328504
0.8201 Intermediate Similarity NPC182249
0.8194 Intermediate Similarity NPC32017
0.8194 Intermediate Similarity NPC96930
0.8189 Intermediate Similarity NPC122117
0.8143 Intermediate Similarity NPC473591
0.8143 Intermediate Similarity NPC155192
0.8143 Intermediate Similarity NPC271494
0.8138 Intermediate Similarity NPC298647
0.8138 Intermediate Similarity NPC292206
0.8138 Intermediate Similarity NPC279442
0.8138 Intermediate Similarity NPC273358
0.812 Intermediate Similarity NPC269598
0.811 Intermediate Similarity NPC471936
0.8085 Intermediate Similarity NPC304110
0.8085 Intermediate Similarity NPC472801
0.8085 Intermediate Similarity NPC172311
0.8085 Intermediate Similarity NPC27518
0.808 Intermediate Similarity NPC228425
0.8074 Intermediate Similarity NPC131684
0.8071 Intermediate Similarity NPC76032
0.8071 Intermediate Similarity NPC132723
0.8065 Intermediate Similarity NPC183700
0.8042 Intermediate Similarity NPC96447
0.8015 Intermediate Similarity NPC142198
0.8015 Intermediate Similarity NPC77569
0.8 Intermediate Similarity NPC260832
0.8 Intermediate Similarity NPC472938
0.8 Intermediate Similarity NPC135467
0.8 Intermediate Similarity NPC477592
0.8 Intermediate Similarity NPC471152
0.8 Intermediate Similarity NPC472936
0.8 Intermediate Similarity NPC472937
0.7985 Intermediate Similarity NPC471935
0.7985 Intermediate Similarity NPC471929
0.7985 Intermediate Similarity NPC471930
0.7984 Intermediate Similarity NPC75272
0.7984 Intermediate Similarity NPC471954
0.7972 Intermediate Similarity NPC477873
0.7972 Intermediate Similarity NPC469447
0.7972 Intermediate Similarity NPC204644
0.7971 Intermediate Similarity NPC18982
0.7971 Intermediate Similarity NPC475457
0.7971 Intermediate Similarity NPC475627
0.7971 Intermediate Similarity NPC475346
0.7967 Intermediate Similarity NPC260952
0.7961 Intermediate Similarity NPC269668
0.7959 Intermediate Similarity NPC208785
0.7959 Intermediate Similarity NPC470618
0.7959 Intermediate Similarity NPC145527
0.7959 Intermediate Similarity NPC470619
0.7955 Intermediate Similarity NPC121168
0.7953 Intermediate Similarity NPC41851
0.7943 Intermediate Similarity NPC477593
0.7939 Intermediate Similarity NPC470849
0.7939 Intermediate Similarity NPC470848
0.7931 Intermediate Similarity NPC320734
0.7929 Intermediate Similarity NPC471872
0.7929 Intermediate Similarity NPC154485
0.7923 Intermediate Similarity NPC258366
0.7923 Intermediate Similarity NPC31296
0.7923 Intermediate Similarity NPC79933
0.7923 Intermediate Similarity NPC473974
0.7919 Intermediate Similarity NPC205392
0.7919 Intermediate Similarity NPC105942
0.7917 Intermediate Similarity NPC25491
0.7914 Intermediate Similarity NPC477594
0.7903 Intermediate Similarity NPC470039
0.7903 Intermediate Similarity NPC206341
0.7902 Intermediate Similarity NPC477595
0.7883 Intermediate Similarity NPC72915
0.7872 Intermediate Similarity NPC170718
0.7863 Intermediate Similarity NPC99734
0.7862 Intermediate Similarity NPC307205
0.7862 Intermediate Similarity NPC53520
0.7857 Intermediate Similarity NPC322753
0.7857 Intermediate Similarity NPC477596
0.7846 Intermediate Similarity NPC203124
0.7846 Intermediate Similarity NPC309434
0.7838 Intermediate Similarity NPC472939
0.782 Intermediate Similarity NPC321402
0.782 Intermediate Similarity NPC297057
0.7803 Intermediate Similarity NPC241001
0.7795 Intermediate Similarity NPC26615
0.7794 Intermediate Similarity NPC262936
0.7794 Intermediate Similarity NPC30491
0.7787 Intermediate Similarity NPC304638
0.7786 Intermediate Similarity NPC42657
0.7786 Intermediate Similarity NPC263386
0.7786 Intermediate Similarity NPC141791
0.7785 Intermediate Similarity NPC77310
0.7778 Intermediate Similarity NPC124030
0.7778 Intermediate Similarity NPC63345
0.777 Intermediate Similarity NPC253591
0.777 Intermediate Similarity NPC165612
0.7769 Intermediate Similarity NPC477136
0.7762 Intermediate Similarity NPC164743
0.7762 Intermediate Similarity NPC221134
0.7754 Intermediate Similarity NPC249425
0.7752 Intermediate Similarity NPC147179
0.7744 Intermediate Similarity NPC475166
0.7737 Intermediate Similarity NPC176590
0.7734 Intermediate Similarity NPC123175
0.7734 Intermediate Similarity NPC176730
0.7734 Intermediate Similarity NPC190212
0.773 Intermediate Similarity NPC472804
0.7727 Intermediate Similarity NPC318552
0.7727 Intermediate Similarity NPC190501
0.7727 Intermediate Similarity NPC478121
0.7724 Intermediate Similarity NPC470273
0.7724 Intermediate Similarity NPC186296
0.7718 Intermediate Similarity NPC162569
0.7718 Intermediate Similarity NPC267469
0.7718 Intermediate Similarity NPC87630
0.7718 Intermediate Similarity NPC179128
0.7718 Intermediate Similarity NPC35160
0.7718 Intermediate Similarity NPC116292
0.7714 Intermediate Similarity NPC185777
0.7714 Intermediate Similarity NPC203486
0.7708 Intermediate Similarity NPC137501
0.7708 Intermediate Similarity NPC159387
0.7708 Intermediate Similarity NPC154262
0.7708 Intermediate Similarity NPC7518
0.7703 Intermediate Similarity NPC325032
0.7703 Intermediate Similarity NPC477483
0.7698 Intermediate Similarity NPC79543
0.7692 Intermediate Similarity NPC470820
0.7692 Intermediate Similarity NPC38893
0.7692 Intermediate Similarity NPC219112
0.7692 Intermediate Similarity NPC161151
0.7692 Intermediate Similarity NPC308311
0.7692 Intermediate Similarity NPC308828
0.7692 Intermediate Similarity NPC477137
0.7692 Intermediate Similarity NPC281277
0.7687 Intermediate Similarity NPC325301
0.7687 Intermediate Similarity NPC327070
0.7687 Intermediate Similarity NPC208293
0.7681 Intermediate Similarity NPC117899
0.7674 Intermediate Similarity NPC268160
0.7671 Intermediate Similarity NPC478264
0.7671 Intermediate Similarity NPC251062
0.7671 Intermediate Similarity NPC184464
0.7669 Intermediate Similarity NPC164852
0.7669 Intermediate Similarity NPC131868
0.7667 Intermediate Similarity NPC261659
0.7661 Intermediate Similarity NPC303141
0.7661 Intermediate Similarity NPC243677
0.766 Intermediate Similarity NPC471913
0.7658 Intermediate Similarity NPC286809
0.7656 Intermediate Similarity NPC228988
0.7655 Intermediate Similarity NPC20631
0.7655 Intermediate Similarity NPC93640
0.7651 Intermediate Similarity NPC473719
0.7647 Intermediate Similarity NPC275576
0.7643 Intermediate Similarity NPC85595

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC288290 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
0.8779 High Similarity NPD6663 Approved
0.876 High Similarity NPD5736 Approved
0.8296 Intermediate Similarity NPD4140 Approved
0.8268 Intermediate Similarity NPD3091 Approved
0.8043 Intermediate Similarity NPD6353 Approved
0.8015 Intermediate Similarity NPD3092 Approved
0.7971 Intermediate Similarity NPD5735 Approved
0.7895 Intermediate Similarity NPD5327 Phase 3
0.7877 Intermediate Similarity NPD6273 Approved
0.7863 Intermediate Similarity NPD4059 Approved
0.7863 Intermediate Similarity NPD3095 Discontinued
0.7817 Intermediate Similarity NPD5762 Approved
0.7817 Intermediate Similarity NPD5763 Approved
0.7778 Intermediate Similarity NPD3094 Phase 2
0.7778 Intermediate Similarity NPD8166 Discontinued
0.7727 Intermediate Similarity NPD4626 Approved
0.7727 Intermediate Similarity NPD2932 Approved
0.7727 Intermediate Similarity NPD3019 Approved
0.7721 Intermediate Similarity NPD4624 Approved
0.7652 Intermediate Similarity NPD5691 Approved
0.7643 Intermediate Similarity NPD3620 Phase 2
0.7643 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD4060 Phase 1
0.7447 Intermediate Similarity NPD8032 Phase 2
0.7432 Intermediate Similarity NPD7236 Approved
0.7398 Intermediate Similarity NPD3020 Approved
0.7343 Intermediate Similarity NPD6355 Discontinued
0.7342 Intermediate Similarity NPD8127 Discontinued
0.7323 Intermediate Similarity NPD3134 Approved
0.731 Intermediate Similarity NPD7743 Approved
0.731 Intermediate Similarity NPD7742 Approved
0.7297 Intermediate Similarity NPD7003 Approved
0.7286 Intermediate Similarity NPD2861 Phase 2
0.7248 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD7028 Phase 2
0.7194 Intermediate Similarity NPD1283 Approved
0.719 Intermediate Similarity NPD7239 Suspended
0.7185 Intermediate Similarity NPD7741 Discontinued
0.7181 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD4110 Phase 3
0.7181 Intermediate Similarity NPD4628 Phase 3
0.7172 Intermediate Similarity NPD6653 Approved
0.7154 Intermediate Similarity NPD2859 Approved
0.7154 Intermediate Similarity NPD2860 Approved
0.7153 Intermediate Similarity NPD3496 Discontinued
0.7153 Intermediate Similarity NPD3026 Approved
0.7153 Intermediate Similarity NPD3023 Approved
0.7133 Intermediate Similarity NPD3764 Approved
0.7132 Intermediate Similarity NPD3025 Approved
0.7132 Intermediate Similarity NPD3024 Approved
0.7124 Intermediate Similarity NPD5699 Approved
0.7122 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD7635 Approved
0.7121 Intermediate Similarity NPD6858 Approved
0.7121 Intermediate Similarity NPD7094 Approved
0.7095 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6002 Phase 3
0.7095 Intermediate Similarity NPD6004 Phase 3
0.7095 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD7266 Discontinued
0.7095 Intermediate Similarity NPD6005 Phase 3
0.7092 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2934 Approved
0.7073 Intermediate Similarity NPD2933 Approved
0.7071 Intermediate Similarity NPD1876 Approved
0.7067 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD7095 Approved
0.7059 Intermediate Similarity NPD9545 Approved
0.7037 Intermediate Similarity NPD4230 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD7458 Discontinued
0.7029 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD2935 Discontinued
0.7023 Intermediate Similarity NPD3022 Approved
0.7023 Intermediate Similarity NPD3021 Approved
0.7021 Intermediate Similarity NPD6362 Approved
0.7021 Intermediate Similarity NPD2797 Approved
0.7016 Intermediate Similarity NPD1809 Phase 2
0.7015 Intermediate Similarity NPD2629 Approved
0.7007 Intermediate Similarity NPD5585 Approved
0.7 Intermediate Similarity NPD1358 Approved
0.6986 Remote Similarity NPD3657 Discovery
0.6978 Remote Similarity NPD1281 Approved
0.6972 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6963 Remote Similarity NPD4198 Discontinued
0.6963 Remote Similarity NPD7157 Approved
0.696 Remote Similarity NPD288 Approved
0.6959 Remote Similarity NPD2799 Discontinued
0.6957 Remote Similarity NPD1778 Approved
0.6944 Remote Similarity NPD5952 Clinical (unspecified phase)
0.694 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6939 Remote Similarity NPD4097 Suspended
0.6939 Remote Similarity NPD2157 Approved
0.6929 Remote Similarity NPD289 Clinical (unspecified phase)
0.6918 Remote Similarity NPD2979 Phase 3
0.6917 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6892 Remote Similarity NPD7097 Phase 1
0.6887 Remote Similarity NPD3638 Discontinued
0.6883 Remote Similarity NPD7004 Clinical (unspecified phase)
0.688 Remote Similarity NPD844 Approved
0.6866 Remote Similarity NPD5535 Approved
0.6857 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6857 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6857 Remote Similarity NPD422 Phase 1
0.6855 Remote Similarity NPD845 Approved
0.6855 Remote Similarity NPD5761 Phase 2
0.6855 Remote Similarity NPD5760 Phase 2
0.6853 Remote Similarity NPD5647 Approved
0.6838 Remote Similarity NPD6671 Approved
0.6835 Remote Similarity NPD1751 Approved
0.6831 Remote Similarity NPD6696 Suspended
0.6828 Remote Similarity NPD7008 Discontinued
0.6824 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6647 Phase 2
0.6815 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6809 Remote Similarity NPD3972 Approved
0.68 Remote Similarity NPD4477 Approved
0.68 Remote Similarity NPD4476 Approved
0.68 Remote Similarity NPD2438 Suspended
0.6792 Remote Similarity NPD5714 Approved
0.6788 Remote Similarity NPD9493 Approved
0.6786 Remote Similarity NPD3847 Discontinued
0.6784 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6783 Remote Similarity NPD1164 Approved
0.6781 Remote Similarity NPD6798 Discontinued
0.6781 Remote Similarity NPD3268 Approved
0.6781 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6776 Remote Similarity NPD7421 Clinical (unspecified phase)
0.677 Remote Similarity NPD7057 Phase 3
0.677 Remote Similarity NPD7058 Phase 2
0.6767 Remote Similarity NPD4750 Phase 3
0.6765 Remote Similarity NPD5951 Approved
0.6763 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6763 Remote Similarity NPD1651 Approved
0.6761 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6761 Remote Similarity NPD4359 Approved
0.6759 Remote Similarity NPD4908 Phase 1
0.6757 Remote Similarity NPD5124 Phase 1
0.6757 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6755 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6753 Remote Similarity NPD6667 Approved
0.6753 Remote Similarity NPD6666 Approved
0.6746 Remote Similarity NPD6765 Approved
0.6746 Remote Similarity NPD6764 Approved
0.6742 Remote Similarity NPD2342 Discontinued
0.6738 Remote Similarity NPD1611 Approved
0.6738 Remote Similarity NPD1610 Phase 2
0.6736 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6736 Remote Similarity NPD6085 Phase 2
0.6731 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6716 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6711 Remote Similarity NPD5958 Discontinued
0.6711 Remote Similarity NPD4534 Discontinued
0.6692 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6692 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6692 Remote Similarity NPD2684 Approved
0.6691 Remote Similarity NPD2228 Approved
0.6691 Remote Similarity NPD5283 Phase 1
0.6691 Remote Similarity NPD2234 Approved
0.6691 Remote Similarity NPD2229 Approved
0.6691 Remote Similarity NPD1894 Discontinued
0.669 Remote Similarity NPD2230 Approved
0.669 Remote Similarity NPD4208 Discontinued
0.669 Remote Similarity NPD2233 Approved
0.669 Remote Similarity NPD1608 Approved
0.669 Remote Similarity NPD2232 Approved
0.6689 Remote Similarity NPD6100 Approved
0.6689 Remote Similarity NPD5408 Approved
0.6689 Remote Similarity NPD2531 Phase 2
0.6689 Remote Similarity NPD5404 Approved
0.6689 Remote Similarity NPD5405 Approved
0.6689 Remote Similarity NPD6099 Approved
0.6689 Remote Similarity NPD5406 Approved
0.6688 Remote Similarity NPD8131 Suspended
0.6687 Remote Similarity NPD6234 Discontinued
0.6667 Remote Similarity NPD5713 Approved
0.6667 Remote Similarity NPD4966 Approved
0.6667 Remote Similarity NPD4967 Phase 2
0.6667 Remote Similarity NPD7315 Approved
0.6667 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4965 Approved
0.6667 Remote Similarity NPD6685 Approved
0.6667 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6646 Remote Similarity NPD7819 Suspended
0.6645 Remote Similarity NPD2346 Discontinued
0.6643 Remote Similarity NPD4093 Discontinued
0.6643 Remote Similarity NPD1357 Approved
0.6642 Remote Similarity NPD1792 Phase 2
0.6641 Remote Similarity NPD5909 Discontinued
0.6626 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6626 Remote Similarity NPD7831 Phase 2
0.6626 Remote Similarity NPD7833 Phase 2
0.6623 Remote Similarity NPD7305 Phase 1
0.6623 Remote Similarity NPD7033 Discontinued
0.6623 Remote Similarity NPD3750 Approved
0.6622 Remote Similarity NPD4248 Discontinued
0.6622 Remote Similarity NPD4870 Approved
0.6622 Remote Similarity NPD7961 Discontinued
0.6621 Remote Similarity NPD6584 Phase 3

Structure

External Identifiers

PubChem CID   45483046
ChEMBL   CHEMBL566735
ZINC  

Physicochemical Properties

Molecular Weight:  368.24
ALogP:  0.8661
MLogP:  3.77
XLogP:  7.551
# Rotatable Bonds:  10
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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