Natural Product: NPC472708

Natural Product ID:  NPC472708
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H18O4
Standard InCHIKey:  KJCUFCRMRPHAFY-SWLSCSKDSA-N
Standard InCHI:  InChI=1S/C15H18O4/c1-14(2)12(17)11(16)8-15(14,3)10-6-4-9(5-7-10)13(18)19/h4-7,12,17H,8H2,1-3H3,(H,18,19)/t12-,15+/m0/s1
Canonical SMILES:  O=C1C[C@](C([C@H]1O)(C)C)(C)c1ccc(cc1)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
NPO32768 basidiomycete deconica sp. 471 Species NA NA PMID[25871540]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1460 Cell Line L929 Mus musculus IC50 > 10 ug/ml DrugMatrix in vitro pharmacology data

  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 NPC472708 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
0.8919 High Similarity NPC249811
0.8699 High Similarity NPC472706
0.8629 High Similarity NPC472707
0.8468 Intermediate Similarity NPC25458
0.8455 Intermediate Similarity NPC472704
0.845 Intermediate Similarity NPC232888
0.845 Intermediate Similarity NPC477367
0.8374 Intermediate Similarity NPC472703
0.8372 Intermediate Similarity NPC477368
0.8346 Intermediate Similarity NPC272946
0.8304 Intermediate Similarity NPC304873
0.8295 Intermediate Similarity NPC477364
0.8288 Intermediate Similarity NPC217621
0.8279 Intermediate Similarity NPC133302
0.8235 Intermediate Similarity NPC476357
0.8235 Intermediate Similarity NPC274839
0.8231 Intermediate Similarity NPC477359
0.8203 Intermediate Similarity NPC82712
0.8158 Intermediate Similarity NPC249067
0.8145 Intermediate Similarity NPC18785
0.811 Intermediate Similarity NPC477365
0.8108 Intermediate Similarity NPC253423
0.8103 Intermediate Similarity NPC112903
0.8087 Intermediate Similarity NPC105899
0.8077 Intermediate Similarity NPC233692
0.8065 Intermediate Similarity NPC472981
0.8062 Intermediate Similarity NPC42234
0.8049 Intermediate Similarity NPC204784
0.8047 Intermediate Similarity NPC477370
0.8031 Intermediate Similarity NPC477366
0.803 Intermediate Similarity NPC472247
0.8018 Intermediate Similarity NPC61944
0.8016 Intermediate Similarity NPC85511
0.8 Intermediate Similarity NPC72915
0.8 Intermediate Similarity NPC167323
0.8 Intermediate Similarity NPC269923
0.7955 Intermediate Similarity NPC311492
0.7955 Intermediate Similarity NPC28836
0.7953 Intermediate Similarity NPC295664
0.7939 Intermediate Similarity NPC239358
0.7939 Intermediate Similarity NPC477360
0.7931 Intermediate Similarity NPC321670
0.7907 Intermediate Similarity NPC51448
0.7907 Intermediate Similarity NPC115797
0.7891 Intermediate Similarity NPC477363
0.7881 Intermediate Similarity NPC469636
0.7879 Intermediate Similarity NPC472248
0.7876 Intermediate Similarity NPC229242
0.7876 Intermediate Similarity NPC160548
0.7876 Intermediate Similarity NPC210529
0.7876 Intermediate Similarity NPC175852
0.7874 Intermediate Similarity NPC477362
0.7868 Intermediate Similarity NPC475413
0.7868 Intermediate Similarity NPC242355
0.7868 Intermediate Similarity NPC473497
0.7868 Intermediate Similarity NPC474303
0.7863 Intermediate Similarity NPC37914
0.7863 Intermediate Similarity NPC185763
0.7863 Intermediate Similarity NPC83409
0.7851 Intermediate Similarity NPC196673
0.7846 Intermediate Similarity NPC37968
0.784 Intermediate Similarity NPC473243
0.784 Intermediate Similarity NPC470585
0.7836 Intermediate Similarity NPC202729
0.7833 Intermediate Similarity NPC66208
0.7829 Intermediate Similarity NPC477357
0.7826 Intermediate Similarity NPC320891
0.7826 Intermediate Similarity NPC284477
0.782 Intermediate Similarity NPC472250
0.782 Intermediate Similarity NPC203486
0.782 Intermediate Similarity NPC126516
0.7805 Intermediate Similarity NPC158157
0.7803 Intermediate Similarity NPC233860
0.7797 Intermediate Similarity NPC211439
0.7787 Intermediate Similarity NPC186933
0.7778 Intermediate Similarity NPC27721
0.7761 Intermediate Similarity NPC475262
0.7761 Intermediate Similarity NPC265459
0.7761 Intermediate Similarity NPC270364
0.7761 Intermediate Similarity NPC290833
0.7761 Intermediate Similarity NPC200154
0.7759 Intermediate Similarity NPC160382
0.7759 Intermediate Similarity NPC255676
0.7754 Intermediate Similarity NPC153214
0.7754 Intermediate Similarity NPC45307
0.7752 Intermediate Similarity NPC275576
0.7752 Intermediate Similarity NPC472592
0.775 Intermediate Similarity NPC476003
0.775 Intermediate Similarity NPC474057
0.7742 Intermediate Similarity NPC80605
0.7742 Intermediate Similarity NPC222968
0.7742 Intermediate Similarity NPC323440
0.7734 Intermediate Similarity NPC228739
0.7734 Intermediate Similarity NPC328107
0.7731 Intermediate Similarity NPC318327
0.7724 Intermediate Similarity NPC9274
0.7721 Intermediate Similarity NPC473301
0.7705 Intermediate Similarity NPC307651
0.7705 Intermediate Similarity NPC474363
0.7704 Intermediate Similarity NPC285221
0.7704 Intermediate Similarity NPC217673
0.7704 Intermediate Similarity NPC477358
0.7704 Intermediate Similarity NPC194769
0.7704 Intermediate Similarity NPC52523
0.7692 Intermediate Similarity NPC169913
0.7687 Intermediate Similarity NPC329913
0.7686 Intermediate Similarity NPC471188
0.7686 Intermediate Similarity NPC321852
0.7676 Intermediate Similarity NPC477101
0.7676 Intermediate Similarity NPC477099
0.7676 Intermediate Similarity NPC477097
0.7674 Intermediate Similarity NPC117794
0.7661 Intermediate Similarity NPC212891
0.766 Intermediate Similarity NPC205389
0.7658 Intermediate Similarity NPC110704
0.7656 Intermediate Similarity NPC223351
0.7652 Intermediate Similarity NPC228435
0.7652 Intermediate Similarity NPC203925
0.7647 Intermediate Similarity NPC86772
0.7642 Intermediate Similarity NPC93181
0.763 Intermediate Similarity NPC79699
0.763 Intermediate Similarity NPC23894
0.7623 Intermediate Similarity NPC306977
0.7623 Intermediate Similarity NPC287055
0.7623 Intermediate Similarity NPC272524
0.7623 Intermediate Similarity NPC242957
0.7623 Intermediate Similarity NPC128368
0.7623 Intermediate Similarity NPC206414
0.7619 Intermediate Similarity NPC476645
0.7615 Intermediate Similarity NPC476599
0.7615 Intermediate Similarity NPC287473
0.7607 Intermediate Similarity NPC301943
0.7607 Intermediate Similarity NPC474365
0.7603 Intermediate Similarity NPC260818
0.7603 Intermediate Similarity NPC265513
0.7597 Intermediate Similarity NPC8990
0.7591 Intermediate Similarity NPC272523
0.7591 Intermediate Similarity NPC477592
0.7591 Intermediate Similarity NPC170718
0.7591 Intermediate Similarity NPC325805
0.7591 Intermediate Similarity NPC276652
0.7589 Intermediate Similarity NPC170668
0.7586 Intermediate Similarity NPC70624
0.7586 Intermediate Similarity NPC282895
0.7586 Intermediate Similarity NPC469481
0.7583 Intermediate Similarity NPC85493
0.7583 Intermediate Similarity NPC83628
0.7583 Intermediate Similarity NPC265407
0.7578 Intermediate Similarity NPC369
0.7578 Intermediate Similarity NPC293831
0.7568 Intermediate Similarity NPC62765
0.7565 Intermediate Similarity NPC317280
0.7565 Intermediate Similarity NPC329387
0.7561 Intermediate Similarity NPC471721
0.7561 Intermediate Similarity NPC153053
0.7559 Intermediate Similarity NPC234337
0.7559 Intermediate Similarity NPC183339
0.7559 Intermediate Similarity NPC133389
0.7557 Intermediate Similarity NPC110211
0.7556 Intermediate Similarity NPC48929
0.7552 Intermediate Similarity NPC125033
0.7552 Intermediate Similarity NPC232583
0.7552 Intermediate Similarity NPC25484
0.7541 Intermediate Similarity NPC212718
0.7541 Intermediate Similarity NPC474314
0.7541 Intermediate Similarity NPC158282
0.7541 Intermediate Similarity NPC292834
0.754 Intermediate Similarity NPC318173
0.7538 Intermediate Similarity NPC477369
0.7537 Intermediate Similarity NPC125153
0.7536 Intermediate Similarity NPC475660
0.7536 Intermediate Similarity NPC251294
0.7521 Intermediate Similarity NPC188895
0.7519 Intermediate Similarity NPC475508
0.7519 Intermediate Similarity NPC65627
0.7519 Intermediate Similarity NPC471832
0.7519 Intermediate Similarity NPC475192
0.7517 Intermediate Similarity NPC477100
0.7517 Intermediate Similarity NPC477098
0.75 Intermediate Similarity NPC306740
0.75 Intermediate Similarity NPC474659
0.75 Intermediate Similarity NPC262936
0.75 Intermediate Similarity NPC50872
0.75 Intermediate Similarity NPC30491
0.75 Intermediate Similarity NPC165197
0.75 Intermediate Similarity NPC79917
0.7482 Intermediate Similarity NPC473654
0.7481 Intermediate Similarity NPC236405
0.748 Intermediate Similarity NPC143768
0.748 Intermediate Similarity NPC473767
0.748 Intermediate Similarity NPC202015
0.748 Intermediate Similarity NPC93287
0.7479 Intermediate Similarity NPC172483
0.7478 Intermediate Similarity NPC289201
0.7464 Intermediate Similarity NPC9905
0.7462 Intermediate Similarity NPC318067
0.7462 Intermediate Similarity NPC471466
0.746 Intermediate Similarity NPC160199
0.7459 Intermediate Similarity NPC475002
0.7459 Intermediate Similarity NPC95126

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472708 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
0.8158 Intermediate Similarity NPD1237 Approved
0.7934 Intermediate Similarity NPD5951 Approved
0.7899 Intermediate Similarity NPD7236 Approved
0.7881 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7876 Intermediate Similarity NPD9495 Approved
0.7829 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7787 Intermediate Similarity NPD2629 Approved
0.7768 Intermediate Similarity NPD1693 Approved
0.7746 Intermediate Similarity NPD7239 Suspended
0.7652 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7652 Intermediate Similarity NPD2066 Phase 3
0.7607 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD6647 Phase 2
0.7603 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD1088 Approved
0.7568 Intermediate Similarity NPD9256 Approved
0.7568 Intermediate Similarity NPD9258 Approved
0.7559 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD7008 Discontinued
0.75 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD1930 Approved
0.7458 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD1929 Approved
0.7424 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD6085 Phase 2
0.7411 Intermediate Similarity NPD1090 Approved
0.7411 Intermediate Similarity NPD1089 Approved
0.7411 Intermediate Similarity NPD1086 Approved
0.7373 Intermediate Similarity NPD1932 Approved
0.7339 Intermediate Similarity NPD6858 Approved
0.7339 Intermediate Similarity NPD7094 Approved
0.7321 Intermediate Similarity NPD800 Approved
0.7311 Intermediate Similarity NPD5765 Approved
0.7308 Intermediate Similarity NPD6287 Discontinued
0.7295 Intermediate Similarity NPD2182 Approved
0.7279 Intermediate Similarity NPD7961 Discontinued
0.7273 Intermediate Similarity NPD6685 Approved
0.7267 Intermediate Similarity NPD7058 Phase 2
0.7267 Intermediate Similarity NPD7057 Phase 3
0.7266 Intermediate Similarity NPD7009 Phase 2
0.7254 Intermediate Similarity NPD4628 Phase 3
0.725 Intermediate Similarity NPD164 Approved
0.7236 Intermediate Similarity NPD1317 Discontinued
0.7231 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD1202 Approved
0.7217 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD9257 Approved
0.7207 Intermediate Similarity NPD9259 Approved
0.7165 Intermediate Similarity NPD4198 Discontinued
0.7154 Intermediate Similarity NPD2329 Discontinued
0.7154 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD6663 Approved
0.7143 Intermediate Similarity NPD7305 Phase 1
0.7143 Intermediate Similarity NPD1087 Approved
0.7123 Intermediate Similarity NPD6273 Approved
0.712 Intermediate Similarity NPD9508 Approved
0.7111 Intermediate Similarity NPD5736 Approved
0.7097 Intermediate Similarity NPD2067 Discontinued
0.7077 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1238 Approved
0.7054 Intermediate Similarity NPD7610 Discontinued
0.7043 Intermediate Similarity NPD1239 Approved
0.7042 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD7715 Approved
0.7029 Intermediate Similarity NPD7714 Approved
0.7 Intermediate Similarity NPD9545 Approved
0.7 Intermediate Similarity NPD3528 Clinical (unspecified phase)
0.6962 Remote Similarity NPD7799 Discontinued
0.6949 Remote Similarity NPD1989 Approved
0.694 Remote Similarity NPD5158 Clinical (unspecified phase)
0.694 Remote Similarity NPD5159 Phase 2
0.694 Remote Similarity NPD5157 Phase 1
0.6937 Remote Similarity NPD9491 Approved
0.6935 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6929 Remote Similarity NPD5277 Phase 2
0.6911 Remote Similarity NPD5048 Discontinued
0.6894 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6894 Remote Similarity NPD5305 Approved
0.6894 Remote Similarity NPD3019 Approved
0.6894 Remote Similarity NPD2932 Approved
0.6894 Remote Similarity NPD5306 Approved
0.6891 Remote Similarity NPD1564 Approved
0.6891 Remote Similarity NPD1566 Phase 3
0.6891 Remote Similarity NPD1565 Approved
0.6866 Remote Similarity NPD3972 Approved
0.6861 Remote Similarity NPD3662 Phase 3
0.6861 Remote Similarity NPD3663 Approved
0.6861 Remote Similarity NPD3664 Approved
0.6861 Remote Similarity NPD3661 Approved
0.685 Remote Similarity NPD1609 Clinical (unspecified phase)
0.685 Remote Similarity NPD6912 Phase 3
0.6846 Remote Similarity NPD9493 Approved
0.6842 Remote Similarity NPD4106 Approved
0.6842 Remote Similarity NPD4136 Approved
0.6842 Remote Similarity NPD4135 Approved
0.6818 Remote Similarity NPD1245 Approved
0.68 Remote Similarity NPD9267 Approved
0.68 Remote Similarity NPD9264 Approved
0.68 Remote Similarity NPD9263 Approved
0.6791 Remote Similarity NPD4807 Approved
0.6791 Remote Similarity NPD4806 Approved
0.6788 Remote Similarity NPD5647 Approved
0.6757 Remote Similarity NPD226 Approved
0.6755 Remote Similarity NPD7458 Discontinued
0.6746 Remote Similarity NPD74 Approved
0.6746 Remote Similarity NPD9266 Approved
0.6742 Remote Similarity NPD3091 Approved
0.6741 Remote Similarity NPD4878 Approved
0.6739 Remote Similarity NPD5204 Approved
0.6736 Remote Similarity NPD7137 Phase 2
0.6723 Remote Similarity NPD688 Clinical (unspecified phase)
0.6723 Remote Similarity NPD9260 Approved
0.6715 Remote Similarity NPD2626 Approved
0.6715 Remote Similarity NPD2625 Approved
0.6715 Remote Similarity NPD2628 Approved
0.6715 Remote Similarity NPD2160 Approved
0.6715 Remote Similarity NPD2627 Approved
0.6715 Remote Similarity NPD2159 Approved
0.6694 Remote Similarity NPD5909 Discontinued
0.6692 Remote Similarity NPD4102 Approved
0.6692 Remote Similarity NPD1246 Approved
0.6692 Remote Similarity NPD4105 Approved
0.669 Remote Similarity NPD6006 Clinical (unspecified phase)
0.669 Remote Similarity NPD6002 Phase 3
0.669 Remote Similarity NPD6005 Phase 3
0.669 Remote Similarity NPD6003 Clinical (unspecified phase)
0.669 Remote Similarity NPD6004 Phase 3
0.6667 Remote Similarity NPD7003 Approved
0.6645 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6643 Remote Similarity NPD6966 Discovery
0.6642 Remote Similarity NPD1104 Approved
0.6642 Remote Similarity NPD3095 Discontinued
0.6639 Remote Similarity NPD1563 Approved
0.662 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6615 Remote Similarity NPD2650 Approved
0.6615 Remote Similarity NPD6010 Discontinued
0.6615 Remote Similarity NPD2652 Approved
0.6613 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6612 Remote Similarity NPD3495 Discontinued
0.6601 Remote Similarity NPD6599 Discontinued
0.66 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6596 Remote Similarity NPD3764 Approved
0.6594 Remote Similarity NPD1164 Approved
0.6594 Remote Similarity NPD1470 Approved
0.6593 Remote Similarity NPD3026 Approved
0.6593 Remote Similarity NPD3023 Approved
0.6591 Remote Similarity NPD405 Clinical (unspecified phase)
0.6581 Remote Similarity NPD5346 Phase 2
0.6581 Remote Similarity NPD5347 Phase 2
0.6577 Remote Similarity NPD9490 Approved
0.6573 Remote Similarity NPD6355 Discontinued
0.6571 Remote Similarity NPD5203 Approved
0.6571 Remote Similarity NPD4617 Approved
0.6571 Remote Similarity NPD4620 Approved
0.6571 Remote Similarity NPD5201 Approved
0.6567 Remote Similarity NPD3024 Approved
0.6567 Remote Similarity NPD3025 Approved
0.6565 Remote Similarity NPD4766 Approved
0.6565 Remote Similarity NPD9281 Approved
0.6562 Remote Similarity NPD4233 Approved
0.6562 Remote Similarity NPD4234 Approved
0.6554 Remote Similarity NPD8166 Discontinued
0.6552 Remote Similarity NPD4793 Discontinued
0.6549 Remote Similarity NPD7713 Phase 3
0.6544 Remote Similarity NPD3092 Approved
0.6544 Remote Similarity NPD1201 Approved
0.6528 Remote Similarity NPD6653 Approved
0.6528 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6525 Remote Similarity NPD3673 Approved
0.6525 Remote Similarity NPD3672 Approved
0.6522 Remote Similarity NPD1876 Approved
0.6522 Remote Similarity NPD1888 Phase 1
0.6522 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6519 Remote Similarity NPD2345 Approved
0.6519 Remote Similarity NPD1778 Approved
0.6507 Remote Similarity NPD5408 Approved
0.6507 Remote Similarity NPD5405 Approved
0.6507 Remote Similarity NPD5406 Approved
0.6507 Remote Similarity NPD5404 Approved
0.6503 Remote Similarity NPD4140 Approved
0.6496 Remote Similarity NPD9717 Approved
0.6493 Remote Similarity NPD7741 Discontinued
0.6486 Remote Similarity NPD227 Approved
0.6486 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6486 Remote Similarity NPD225 Approved
0.6485 Remote Similarity NPD6764 Approved
0.6485 Remote Similarity NPD6765 Approved
0.648 Remote Similarity NPD9261 Approved
0.6479 Remote Similarity NPD4621 Approved
0.6479 Remote Similarity NPD4619 Approved
0.6475 Remote Similarity NPD3094 Phase 2
0.6475 Remote Similarity NPD6362 Approved
0.6471 Remote Similarity NPD4879 Approved
0.6471 Remote Similarity NPD7609 Phase 3
0.6466 Remote Similarity NPD694 Clinical (unspecified phase)
0.6463 Remote Similarity NPD2346 Discontinued
0.6463 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6462 Remote Similarity NPD969 Suspended

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3581625
ZINC  

Physicochemical Properties

Molecular Weight:  262.12
ALogP:  0.1002
MLogP:  2.67
XLogP:  3.333
# Rotatable Bonds:  7
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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