Natural Product: NPC249811

Natural Product ID:  NPC249811
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H20O2
Standard InCHIKey:  NZAJKPWIGPUDBG-OAHLLOKOSA-N
Standard InCHI:  InChI=1S/C15H20O2/c1-14(2)9-4-10-15(14,3)12-7-5-11(6-8-12)13(16)17/h5-8H,4,9-10H2,1-3H3,(H,16,17)/t15-/m1/s1
Canonical SMILES:  OC(=O)c1ccc(cc1)[C@@]1(C)CCCC1(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
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 23089527
NPT3481 Organism Mucor hiemalis Mucor hiemalis MIC = 67 ug/ml 22283451

  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 NPC249811 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
0.93 High Similarity NPC304873
0.9293 High Similarity NPC217621
0.9109 High Similarity NPC25458
0.9091 High Similarity NPC253423
0.9029 High Similarity NPC105899
0.8919 High Similarity NPC472708
0.8812 High Similarity NPC229242
0.88 High Similarity NPC61944
0.8704 High Similarity NPC66208
0.8654 High Similarity NPC255676
0.8636 High Similarity NPC476357
0.8598 High Similarity NPC318327
0.8485 Intermediate Similarity NPC62765
0.8468 Intermediate Similarity NPC186933
0.8448 Intermediate Similarity NPC472703
0.8411 Intermediate Similarity NPC37914
0.8381 Intermediate Similarity NPC284477
0.8376 Intermediate Similarity NPC472704
0.8304 Intermediate Similarity NPC274839
0.83 Intermediate Similarity NPC86670
0.83 Intermediate Similarity NPC70940
0.83 Intermediate Similarity NPC274455
0.8286 Intermediate Similarity NPC282895
0.8273 Intermediate Similarity NPC474057
0.8205 Intermediate Similarity NPC167323
0.8205 Intermediate Similarity NPC269923
0.819 Intermediate Similarity NPC228435
0.819 Intermediate Similarity NPC203925
0.8167 Intermediate Similarity NPC472706
0.8165 Intermediate Similarity NPC112903
0.8113 Intermediate Similarity NPC70624
0.8108 Intermediate Similarity NPC95126
0.8108 Intermediate Similarity NPC475002
0.8099 Intermediate Similarity NPC472707
0.8091 Intermediate Similarity NPC85493
0.8087 Intermediate Similarity NPC160199
0.8081 Intermediate Similarity NPC318107
0.8067 Intermediate Similarity NPC85511
0.8037 Intermediate Similarity NPC188895
0.8036 Intermediate Similarity NPC321852
0.8 Intermediate Similarity NPC322387
0.8 Intermediate Similarity NPC158157
0.7981 Intermediate Similarity NPC130398
0.7966 Intermediate Similarity NPC165197
0.7963 Intermediate Similarity NPC329556
0.7946 Intermediate Similarity NPC260818
0.7928 Intermediate Similarity NPC469636
0.7925 Intermediate Similarity NPC78701
0.7925 Intermediate Similarity NPC35448
0.7921 Intermediate Similarity NPC329064
0.7909 Intermediate Similarity NPC83409
0.7909 Intermediate Similarity NPC185763
0.7905 Intermediate Similarity NPC261947
0.7899 Intermediate Similarity NPC25168
0.7895 Intermediate Similarity NPC471721
0.7895 Intermediate Similarity NPC153053
0.7885 Intermediate Similarity NPC261181
0.7864 Intermediate Similarity NPC110704
0.7864 Intermediate Similarity NPC79917
0.785 Intermediate Similarity NPC325497
0.785 Intermediate Similarity NPC146351
0.7833 Intermediate Similarity NPC297193
0.783 Intermediate Similarity NPC276775
0.783 Intermediate Similarity NPC92754
0.783 Intermediate Similarity NPC249912
0.7826 Intermediate Similarity NPC93181
0.7823 Intermediate Similarity NPC82712
0.7815 Intermediate Similarity NPC472981
0.7807 Intermediate Similarity NPC128368
0.7807 Intermediate Similarity NPC93287
0.7805 Intermediate Similarity NPC51448
0.7805 Intermediate Similarity NPC115797
0.7788 Intermediate Similarity NPC476003
0.7778 Intermediate Similarity NPC473325
0.7778 Intermediate Similarity NPC264728
0.7778 Intermediate Similarity NPC285773
0.7768 Intermediate Similarity NPC265407
0.7768 Intermediate Similarity NPC83628
0.776 Intermediate Similarity NPC72915
0.7757 Intermediate Similarity NPC225060
0.7748 Intermediate Similarity NPC37622
0.7748 Intermediate Similarity NPC30594
0.7739 Intermediate Similarity NPC196673
0.7739 Intermediate Similarity NPC307651
0.7731 Intermediate Similarity NPC133302
0.7731 Intermediate Similarity NPC470585
0.7727 Intermediate Similarity NPC31786
0.7727 Intermediate Similarity NPC249067
0.7727 Intermediate Similarity NPC329282
0.7723 Intermediate Similarity NPC474211
0.7706 Intermediate Similarity NPC45613
0.7705 Intermediate Similarity NPC117794
0.7699 Intermediate Similarity NPC95172
0.7698 Intermediate Similarity NPC233692
0.7692 Intermediate Similarity NPC212891
0.7679 Intermediate Similarity NPC56493
0.7679 Intermediate Similarity NPC34715
0.7679 Intermediate Similarity NPC211439
0.7672 Intermediate Similarity NPC221275
0.7672 Intermediate Similarity NPC306740
0.7664 Intermediate Similarity NPC133135
0.7664 Intermediate Similarity NPC251579
0.7658 Intermediate Similarity NPC209632
0.7656 Intermediate Similarity NPC477594
0.7652 Intermediate Similarity NPC272524
0.7652 Intermediate Similarity NPC242957
0.7652 Intermediate Similarity NPC206414
0.7652 Intermediate Similarity NPC306977
0.7652 Intermediate Similarity NPC287055
0.7647 Intermediate Similarity NPC204784
0.7642 Intermediate Similarity NPC472592
0.7642 Intermediate Similarity NPC470765
0.7642 Intermediate Similarity NPC275576
0.7636 Intermediate Similarity NPC89886
0.7636 Intermediate Similarity NPC474365
0.7636 Intermediate Similarity NPC291426
0.7636 Intermediate Similarity NPC247976
0.7636 Intermediate Similarity NPC301943
0.7624 Intermediate Similarity NPC474354
0.7623 Intermediate Similarity NPC275145
0.7615 Intermediate Similarity NPC42211
0.7615 Intermediate Similarity NPC469481
0.7615 Intermediate Similarity NPC225079
0.7615 Intermediate Similarity NPC136810
0.7615 Intermediate Similarity NPC128248
0.7615 Intermediate Similarity NPC133809
0.7615 Intermediate Similarity NPC289117
0.7611 Intermediate Similarity NPC17417
0.7611 Intermediate Similarity NPC10251
0.7607 Intermediate Similarity NPC161304
0.7603 Intermediate Similarity NPC18785
0.76 Intermediate Similarity NPC44830
0.7597 Intermediate Similarity NPC477596
0.7596 Intermediate Similarity NPC58872
0.7593 Intermediate Similarity NPC120393
0.7593 Intermediate Similarity NPC210529
0.7593 Intermediate Similarity NPC175852
0.7593 Intermediate Similarity NPC160548
0.7589 Intermediate Similarity NPC142326
0.7589 Intermediate Similarity NPC244933
0.7589 Intermediate Similarity NPC187913
0.7589 Intermediate Similarity NPC94751
0.7589 Intermediate Similarity NPC119271
0.7589 Intermediate Similarity NPC85560
0.7586 Intermediate Similarity NPC211421
0.7586 Intermediate Similarity NPC237366
0.7581 Intermediate Similarity NPC169913
0.7581 Intermediate Similarity NPC470753
0.7581 Intermediate Similarity NPC473220
0.7578 Intermediate Similarity NPC28836
0.7578 Intermediate Similarity NPC311492
0.7578 Intermediate Similarity NPC203486
0.757 Intermediate Similarity NPC469893
0.7568 Intermediate Similarity NPC472222
0.7568 Intermediate Similarity NPC114594
0.7568 Intermediate Similarity NPC324786
0.7568 Intermediate Similarity NPC472221
0.7565 Intermediate Similarity NPC158282
0.7565 Intermediate Similarity NPC82899
0.7565 Intermediate Similarity NPC270699
0.7565 Intermediate Similarity NPC471188
0.7563 Intermediate Similarity NPC474890
0.7563 Intermediate Similarity NPC161943
0.7563 Intermediate Similarity NPC273282
0.7561 Intermediate Similarity NPC295664
0.7559 Intermediate Similarity NPC233860
0.7559 Intermediate Similarity NPC125153
0.7559 Intermediate Similarity NPC239358
0.7545 Intermediate Similarity NPC320891
0.7544 Intermediate Similarity NPC174099
0.7544 Intermediate Similarity NPC214067
0.7544 Intermediate Similarity NPC196246
0.7544 Intermediate Similarity NPC93084
0.7544 Intermediate Similarity NPC251854
0.7542 Intermediate Similarity NPC83718
0.754 Intermediate Similarity NPC272946
0.754 Intermediate Similarity NPC117899
0.7525 Intermediate Similarity NPC168855
0.7524 Intermediate Similarity NPC86987
0.7523 Intermediate Similarity NPC118343
0.7522 Intermediate Similarity NPC226699
0.7521 Intermediate Similarity NPC26433
0.7521 Intermediate Similarity NPC35856
0.7521 Intermediate Similarity NPC292665
0.7521 Intermediate Similarity NPC244994
0.7521 Intermediate Similarity NPC159760
0.7521 Intermediate Similarity NPC178395
0.7521 Intermediate Similarity NPC301987
0.7521 Intermediate Similarity NPC272454
0.7521 Intermediate Similarity NPC115188
0.7521 Intermediate Similarity NPC179092
0.7521 Intermediate Similarity NPC81808
0.7521 Intermediate Similarity NPC222876
0.7521 Intermediate Similarity NPC50872
0.7519 Intermediate Similarity NPC232888
0.7519 Intermediate Similarity NPC477367
0.75 Intermediate Similarity NPC469890
0.75 Intermediate Similarity NPC472248
0.75 Intermediate Similarity NPC1793
0.75 Intermediate Similarity NPC184579

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC249811 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
0.8807 High Similarity NPD5951 Approved
0.8598 High Similarity NPD6831 Clinical (unspecified phase)
0.85 High Similarity NPD1088 Approved
0.8485 Intermediate Similarity NPD9258 Approved
0.8485 Intermediate Similarity NPD9256 Approved
0.8348 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD1693 Approved
0.83 Intermediate Similarity NPD1086 Approved
0.83 Intermediate Similarity NPD1089 Approved
0.83 Intermediate Similarity NPD1090 Approved
0.82 Intermediate Similarity NPD800 Approved
0.819 Intermediate Similarity NPD2066 Phase 3
0.8081 Intermediate Similarity NPD9259 Approved
0.8081 Intermediate Similarity NPD9257 Approved
0.8 Intermediate Similarity NPD1087 Approved
0.7963 Intermediate Similarity NPD1929 Approved
0.7963 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7963 Intermediate Similarity NPD1930 Approved
0.7885 Intermediate Similarity NPD1202 Approved
0.7876 Intermediate Similarity NPD9508 Approved
0.787 Intermediate Similarity NPD1932 Approved
0.7864 Intermediate Similarity NPD1239 Approved
0.7823 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7788 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD9491 Approved
0.7727 Intermediate Similarity NPD1237 Approved
0.7727 Intermediate Similarity NPD164 Approved
0.768 Intermediate Similarity NPD7008 Discontinued
0.7664 Intermediate Similarity NPD1564 Approved
0.7664 Intermediate Similarity NPD1566 Phase 3
0.7664 Intermediate Similarity NPD1565 Approved
0.7652 Intermediate Similarity NPD5277 Phase 2
0.7623 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD2329 Discontinued
0.7611 Intermediate Similarity NPD2182 Approved
0.7593 Intermediate Similarity NPD9495 Approved
0.7583 Intermediate Similarity NPD1362 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD226 Approved
0.7547 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD1317 Discontinued
0.7523 Intermediate Similarity NPD1238 Approved
0.7521 Intermediate Similarity NPD2629 Approved
0.7521 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7479 Intermediate Similarity NPD7610 Discontinued
0.7477 Intermediate Similarity NPD9260 Approved
0.7477 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD6287 Discontinued
0.744 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD7009 Phase 2
0.7407 Intermediate Similarity NPD1989 Approved
0.7383 Intermediate Similarity NPD1563 Approved
0.7374 Intermediate Similarity NPD9490 Approved
0.7368 Intermediate Similarity NPD9267 Approved
0.7368 Intermediate Similarity NPD9264 Approved
0.7368 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD9263 Approved
0.7355 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5347 Phase 2
0.7333 Intermediate Similarity NPD5346 Phase 2
0.7321 Intermediate Similarity NPD6647 Phase 2
0.7308 Intermediate Similarity NPD4793 Discontinued
0.7304 Intermediate Similarity NPD74 Approved
0.7304 Intermediate Similarity NPD9266 Approved
0.7295 Intermediate Similarity NPD2932 Approved
0.7295 Intermediate Similarity NPD3019 Approved
0.7282 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD227 Approved
0.7273 Intermediate Similarity NPD225 Approved
0.7266 Intermediate Similarity NPD6966 Discovery
0.7257 Intermediate Similarity NPD5909 Discontinued
0.725 Intermediate Similarity NPD9493 Approved
0.7213 Intermediate Similarity NPD1245 Approved
0.7179 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD1104 Approved
0.7154 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD9545 Approved
0.7119 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD1164 Approved
0.7083 Intermediate Similarity NPD1246 Approved
0.7059 Intermediate Similarity NPD7094 Approved
0.7059 Intermediate Similarity NPD6858 Approved
0.7029 Intermediate Similarity NPD7236 Approved
0.7027 Intermediate Similarity NPD3495 Discontinued
0.7025 Intermediate Similarity NPD4198 Discontinued
0.7023 Intermediate Similarity NPD6663 Approved
0.7023 Intermediate Similarity NPD7961 Discontinued
0.7018 Intermediate Similarity NPD9261 Approved
0.7008 Intermediate Similarity NPD1888 Phase 1
0.7007 Intermediate Similarity NPD4628 Phase 3
0.7007 Intermediate Similarity NPD7003 Approved
0.7 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6049 Phase 2
0.7 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.6992 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6984 Remote Similarity NPD3972 Approved
0.6984 Remote Similarity NPD4878 Approved
0.6977 Remote Similarity NPD5736 Approved
0.697 Remote Similarity NPD9716 Approved
0.6967 Remote Similarity NPD405 Clinical (unspecified phase)
0.6949 Remote Similarity NPD4234 Approved
0.6949 Remote Similarity NPD4233 Approved
0.6947 Remote Similarity NPD3764 Approved
0.6944 Remote Similarity NPD3672 Approved
0.6944 Remote Similarity NPD3673 Approved
0.6942 Remote Similarity NPD9281 Approved
0.6942 Remote Similarity NPD4766 Approved
0.6935 Remote Similarity NPD4102 Approved
0.6935 Remote Similarity NPD4105 Approved
0.6923 Remote Similarity NPD3971 Phase 1
0.6912 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6905 Remote Similarity NPD1201 Approved
0.6901 Remote Similarity NPD7239 Suspended
0.6899 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6899 Remote Similarity NPD6085 Phase 2
0.6894 Remote Similarity NPD7714 Approved
0.6894 Remote Similarity NPD7715 Approved
0.6881 Remote Similarity NPD7609 Phase 3
0.688 Remote Similarity NPD5306 Approved
0.688 Remote Similarity NPD5305 Approved
0.688 Remote Similarity NPD2345 Approved
0.6879 Remote Similarity NPD6273 Approved
0.687 Remote Similarity NPD5765 Approved
0.686 Remote Similarity NPD1280 Clinical (unspecified phase)
0.686 Remote Similarity NPD2652 Approved
0.686 Remote Similarity NPD2650 Approved
0.685 Remote Similarity NPD9717 Approved
0.6838 Remote Similarity NPD5405 Approved
0.6838 Remote Similarity NPD5404 Approved
0.6838 Remote Similarity NPD6685 Approved
0.6838 Remote Similarity NPD5406 Approved
0.6838 Remote Similarity NPD5408 Approved
0.6825 Remote Similarity NPD4135 Approved
0.6825 Remote Similarity NPD3026 Approved
0.6825 Remote Similarity NPD3023 Approved
0.6825 Remote Similarity NPD4106 Approved
0.6825 Remote Similarity NPD4136 Approved
0.6822 Remote Similarity NPD1470 Approved
0.6822 Remote Similarity NPD650 Approved
0.6818 Remote Similarity NPD7631 Approved
0.6818 Remote Similarity NPD1508 Approved
0.6807 Remote Similarity NPD2067 Discontinued
0.68 Remote Similarity NPD3025 Approved
0.68 Remote Similarity NPD3024 Approved
0.6797 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6797 Remote Similarity NPD5157 Phase 1
0.6797 Remote Similarity NPD5159 Phase 2
0.6786 Remote Similarity NPD844 Approved
0.6772 Remote Similarity NPD4807 Approved
0.6772 Remote Similarity NPD4806 Approved
0.6769 Remote Similarity NPD2798 Approved
0.6765 Remote Similarity NPD4308 Phase 3
0.6765 Remote Similarity NPD7305 Phase 1
0.6748 Remote Similarity NPD256 Approved
0.6748 Remote Similarity NPD255 Approved
0.6744 Remote Similarity NPD1876 Approved
0.6744 Remote Similarity NPD1283 Approved
0.6731 Remote Similarity NPD942 Approved
0.6726 Remote Similarity NPD288 Approved
0.6718 Remote Similarity NPD3663 Approved
0.6718 Remote Similarity NPD3661 Approved
0.6718 Remote Similarity NPD3662 Phase 3
0.6718 Remote Similarity NPD3664 Approved
0.6696 Remote Similarity NPD289 Clinical (unspecified phase)
0.6693 Remote Similarity NPD1889 Phase 1
0.6692 Remote Similarity NPD411 Approved
0.6692 Remote Similarity NPD2797 Approved
0.6667 Remote Similarity NPD1755 Approved
0.6667 Remote Similarity NPD5278 Discontinued
0.6667 Remote Similarity NPD2346 Discontinued
0.6667 Remote Similarity NPD1756 Approved
0.6667 Remote Similarity NPD9294 Approved
0.6667 Remote Similarity NPD1752 Approved
0.6667 Remote Similarity NPD253 Approved
0.6642 Remote Similarity NPD2799 Discontinued
0.6641 Remote Similarity NPD4980 Approved
0.6641 Remote Similarity NPD518 Clinical (unspecified phase)
0.6637 Remote Similarity NPD1843 Approved
0.6637 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6637 Remote Similarity NPD1809 Phase 2
0.6621 Remote Similarity NPD7458 Discontinued
0.6621 Remote Similarity NPD5086 Approved
0.6614 Remote Similarity NPD9272 Approved
0.6614 Remote Similarity NPD4626 Approved
0.6614 Remote Similarity NPD1778 Approved
0.6612 Remote Similarity NPD3644 Approved
0.6612 Remote Similarity NPD3643 Approved
0.6612 Remote Similarity NPD3642 Approved
0.661 Remote Similarity NPD5048 Discontinued
0.661 Remote Similarity NPD1018 Approved
0.6609 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6609 Remote Similarity NPD3020 Approved
0.6607 Remote Similarity NPD845 Approved
0.6606 Remote Similarity NPD1101 Approved
0.6594 Remote Similarity NPD2935 Discontinued
0.6591 Remote Similarity NPD5204 Approved
0.6589 Remote Similarity NPD1608 Approved
0.6581 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6567 Remote Similarity NPD2313 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3581624
ZINC  

Physicochemical Properties

Molecular Weight:  232.15
ALogP:  0.7834
MLogP:  2.89
XLogP:  6.584
# Rotatable Bonds:  6
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

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