Natural Product: NPC71795

Natural Product ID:  NPC71795
Common Name:   Dehydrogoniothalamin
IUPAC Name:   6-[(E)-2-phenylethenyl]pyran-2-one
Synonyms:  
Molecular Formula:   C13H10O2
Standard InCHIKey:  PJQXIFKFVCLVQK-MDZDMXLPSA-N
Standard InCHI:  InChI=1S/C13H10O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-10H/b10-9+
Canonical SMILES:  O=c1cccc(o1)/C=C/c1ccccc1
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
NPO33111 polyalthia parviflora Species Annonaceae Eukaryota PMID[25419616]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 6800 nM 23558238
NPT2 Others Unspecified IC50 = 11600 nM 26259802
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000 nM 21982797
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 10000 nM 15043428
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 17958396

  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 NPC71795 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
0.961 High Similarity NPC99240
0.925 High Similarity NPC53299
0.9241 High Similarity NPC127491
0.9241 High Similarity NPC324835
0.9241 High Similarity NPC308619
0.9091 High Similarity NPC176228
0.9024 High Similarity NPC286608
0.9024 High Similarity NPC96625
0.9024 High Similarity NPC169050
0.8987 High Similarity NPC89950
0.8974 High Similarity NPC78517
0.8974 High Similarity NPC167577
0.8961 High Similarity NPC287790
0.8961 High Similarity NPC3672
0.8765 High Similarity NPC208183
0.8765 High Similarity NPC243289
0.875 High Similarity NPC303245
0.859 High Similarity NPC175393
0.8462 Intermediate Similarity NPC32203
0.8462 Intermediate Similarity NPC206800
0.8409 Intermediate Similarity NPC23453
0.8391 Intermediate Similarity NPC472319
0.8295 Intermediate Similarity NPC77273
0.8148 Intermediate Similarity NPC50192
0.8068 Intermediate Similarity NPC240108
0.8068 Intermediate Similarity NPC213156
0.8043 Intermediate Similarity NPC154517
0.8043 Intermediate Similarity NPC135951
0.7978 Intermediate Similarity NPC119631
0.7957 Intermediate Similarity NPC80115
0.7955 Intermediate Similarity NPC173443
0.7922 Intermediate Similarity NPC311343
0.7821 Intermediate Similarity NPC98880
0.7812 Intermediate Similarity NPC114594
0.7766 Intermediate Similarity NPC98911
0.7766 Intermediate Similarity NPC472318
0.7732 Intermediate Similarity NPC209632
0.7722 Intermediate Similarity NPC95289
0.7717 Intermediate Similarity NPC5472
0.7701 Intermediate Similarity NPC58616
0.764 Intermediate Similarity NPC304760
0.7629 Intermediate Similarity NPC109637
0.7625 Intermediate Similarity NPC155429
0.7595 Intermediate Similarity NPC235059
0.7595 Intermediate Similarity NPC169222
0.7595 Intermediate Similarity NPC16190
0.759 Intermediate Similarity NPC179726
0.7586 Intermediate Similarity NPC44546
0.7576 Intermediate Similarity NPC47536
0.7551 Intermediate Similarity NPC139891
0.7551 Intermediate Similarity NPC127676
0.7528 Intermediate Similarity NPC89377
0.7526 Intermediate Similarity NPC234305
0.7526 Intermediate Similarity NPC91820
0.7526 Intermediate Similarity NPC179686
0.7526 Intermediate Similarity NPC82426
0.75 Intermediate Similarity NPC99846
0.75 Intermediate Similarity NPC40178
0.75 Intermediate Similarity NPC269023
0.7475 Intermediate Similarity NPC477251
0.7473 Intermediate Similarity NPC185501
0.7449 Intermediate Similarity NPC269644
0.7449 Intermediate Similarity NPC85977
0.7449 Intermediate Similarity NPC171831
0.7449 Intermediate Similarity NPC280616
0.7449 Intermediate Similarity NPC242913
0.7447 Intermediate Similarity NPC30361
0.7412 Intermediate Similarity NPC170484
0.7407 Intermediate Similarity NPC326200
0.7396 Intermediate Similarity NPC325497
0.7396 Intermediate Similarity NPC118343
0.7374 Intermediate Similarity NPC128730
0.7368 Intermediate Similarity NPC249912
0.7368 Intermediate Similarity NPC270654
0.7368 Intermediate Similarity NPC92754
0.7368 Intermediate Similarity NPC276775
0.7363 Intermediate Similarity NPC220893
0.7353 Intermediate Similarity NPC474157
0.7347 Intermediate Similarity NPC60679
0.7347 Intermediate Similarity NPC304638
0.734 Intermediate Similarity NPC130398
0.7326 Intermediate Similarity NPC121800
0.732 Intermediate Similarity NPC42211
0.732 Intermediate Similarity NPC253746
0.7303 Intermediate Similarity NPC123476
0.7303 Intermediate Similarity NPC475710
0.73 Intermediate Similarity NPC472316
0.73 Intermediate Similarity NPC474376
0.73 Intermediate Similarity NPC30594
0.73 Intermediate Similarity NPC176971
0.73 Intermediate Similarity NPC51174
0.73 Intermediate Similarity NPC136962
0.73 Intermediate Similarity NPC37622
0.73 Intermediate Similarity NPC326447
0.73 Intermediate Similarity NPC475203
0.73 Intermediate Similarity NPC472315
0.73 Intermediate Similarity NPC37115
0.7292 Intermediate Similarity NPC225060
0.7292 Intermediate Similarity NPC179411
0.7292 Intermediate Similarity NPC35448
0.7292 Intermediate Similarity NPC78701
0.7283 Intermediate Similarity NPC108026
0.7283 Intermediate Similarity NPC26224
0.7273 Intermediate Similarity NPC2518
0.7255 Intermediate Similarity NPC273837
0.7255 Intermediate Similarity NPC149545
0.7245 Intermediate Similarity NPC94343
0.7228 Intermediate Similarity NPC20485
0.7228 Intermediate Similarity NPC151530
0.7228 Intermediate Similarity NPC475465
0.7228 Intermediate Similarity NPC156648
0.7228 Intermediate Similarity NPC472314
0.7228 Intermediate Similarity NPC157473
0.7228 Intermediate Similarity NPC277788
0.7228 Intermediate Similarity NPC260952
0.7216 Intermediate Similarity NPC146351
0.7212 Intermediate Similarity NPC272524
0.7209 Intermediate Similarity NPC300205
0.7209 Intermediate Similarity NPC139901
0.7209 Intermediate Similarity NPC151405
0.7204 Intermediate Similarity NPC475023
0.7204 Intermediate Similarity NPC475059
0.72 Intermediate Similarity NPC288760
0.72 Intermediate Similarity NPC227255
0.7184 Intermediate Similarity NPC243355
0.7176 Intermediate Similarity NPC245966
0.7172 Intermediate Similarity NPC301943
0.7172 Intermediate Similarity NPC474365
0.7159 Intermediate Similarity NPC323103
0.7159 Intermediate Similarity NPC103387
0.7158 Intermediate Similarity NPC473347
0.7158 Intermediate Similarity NPC32977
0.7158 Intermediate Similarity NPC81010
0.7157 Intermediate Similarity NPC206341
0.7157 Intermediate Similarity NPC281604
0.7157 Intermediate Similarity NPC474364
0.7143 Intermediate Similarity NPC308744
0.7143 Intermediate Similarity NPC194326
0.7143 Intermediate Similarity NPC107101
0.7143 Intermediate Similarity NPC70624
0.7128 Intermediate Similarity NPC475057
0.7126 Intermediate Similarity NPC71664
0.7126 Intermediate Similarity NPC164086
0.7115 Intermediate Similarity NPC474689
0.7113 Intermediate Similarity NPC175298
0.7097 Intermediate Similarity NPC110420
0.7097 Intermediate Similarity NPC303967
0.7097 Intermediate Similarity NPC67585
0.7093 Intermediate Similarity NPC2785
0.7093 Intermediate Similarity NPC36342
0.7093 Intermediate Similarity NPC285470
0.7087 Intermediate Similarity NPC79543
0.7083 Intermediate Similarity NPC246679
0.7083 Intermediate Similarity NPC257182
0.7079 Intermediate Similarity NPC270507
0.7079 Intermediate Similarity NPC273758
0.7075 Intermediate Similarity NPC474685
0.7075 Intermediate Similarity NPC210092
0.7075 Intermediate Similarity NPC87563
0.7071 Intermediate Similarity NPC307425
0.7053 Intermediate Similarity NPC261181
0.7048 Intermediate Similarity NPC131530
0.7048 Intermediate Similarity NPC266116
0.7045 Intermediate Similarity NPC12936
0.7045 Intermediate Similarity NPC273033
0.7045 Intermediate Similarity NPC165212
0.7041 Intermediate Similarity NPC171843
0.7041 Intermediate Similarity NPC203925
0.7037 Intermediate Similarity NPC239931
0.7037 Intermediate Similarity NPC82770
0.7037 Intermediate Similarity NPC78954
0.7033 Intermediate Similarity NPC318107
0.703 Intermediate Similarity NPC269457
0.7021 Intermediate Similarity NPC476484
0.7019 Intermediate Similarity NPC141068
0.7019 Intermediate Similarity NPC183700
0.701 Intermediate Similarity NPC325499
0.701 Intermediate Similarity NPC278228
0.699 Remote Similarity NPC184633
0.6988 Remote Similarity NPC74458
0.6977 Remote Similarity NPC329318
0.697 Remote Similarity NPC13755
0.6952 Remote Similarity NPC234376
0.6952 Remote Similarity NPC474314
0.6944 Remote Similarity NPC128633
0.6939 Remote Similarity NPC476120
0.6939 Remote Similarity NPC140619
0.6933 Remote Similarity NPC149436
0.6932 Remote Similarity NPC190567
0.6932 Remote Similarity NPC127343
0.6932 Remote Similarity NPC95868
0.6931 Remote Similarity NPC283546
0.6923 Remote Similarity NPC294134
0.6905 Remote Similarity NPC285679
0.69 Remote Similarity NPC84325
0.69 Remote Similarity NPC45613
0.69 Remote Similarity NPC188895
0.6897 Remote Similarity NPC137847
0.6897 Remote Similarity NPC76455
0.6893 Remote Similarity NPC470391

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC71795 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
0.9024 High Similarity NPD1282 Approved
0.8462 Intermediate Similarity NPD9716 Approved
0.7753 Intermediate Similarity NPD689 Discontinued
0.7674 Intermediate Similarity NPD3971 Phase 1
0.7629 Intermediate Similarity NPD5909 Discontinued
0.7551 Intermediate Similarity NPD9697 Approved
0.7396 Intermediate Similarity NPD1238 Approved
0.7303 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD3134 Approved
0.7292 Intermediate Similarity NPD5926 Approved
0.7228 Intermediate Similarity NPD1358 Approved
0.7093 Intermediate Similarity NPD225 Approved
0.7093 Intermediate Similarity NPD227 Approved
0.7053 Intermediate Similarity NPD1202 Approved
0.7045 Intermediate Similarity NPD942 Approved
0.7033 Intermediate Similarity NPD9257 Approved
0.7033 Intermediate Similarity NPD9259 Approved
0.6932 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2067 Discontinued
0.6854 Remote Similarity NPD226 Approved
0.6832 Remote Similarity NPD6647 Phase 2
0.6818 Remote Similarity NPD9490 Approved
0.6804 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6804 Remote Similarity NPD6049 Phase 2
0.6792 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6774 Remote Similarity NPD650 Approved
0.6765 Remote Similarity NPD164 Approved
0.6759 Remote Similarity NPD690 Clinical (unspecified phase)
0.6737 Remote Similarity NPD9258 Approved
0.6737 Remote Similarity NPD9256 Approved
0.6703 Remote Similarity NPD9491 Approved
0.6701 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6698 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2182 Approved
0.6636 Remote Similarity NPD969 Suspended
0.6574 Remote Similarity NPD5535 Approved
0.6562 Remote Similarity NPD3672 Approved
0.6562 Remote Similarity NPD3673 Approved
0.6543 Remote Similarity NPD675 Discontinued
0.6535 Remote Similarity NPD2066 Phase 3
0.6514 Remote Similarity NPD1241 Discontinued
0.6495 Remote Similarity NPD7609 Phase 3
0.6486 Remote Similarity NPD694 Clinical (unspecified phase)
0.6465 Remote Similarity NPD9260 Approved
0.6449 Remote Similarity NPD5239 Approved
0.6449 Remote Similarity NPD5237 Approved
0.6449 Remote Similarity NPD5240 Approved
0.6449 Remote Similarity NPD5235 Approved
0.6449 Remote Similarity NPD5236 Approved
0.6435 Remote Similarity NPD422 Phase 1
0.6429 Remote Similarity NPD1508 Approved
0.6429 Remote Similarity NPD7631 Approved
0.6421 Remote Similarity NPD1087 Approved
0.6421 Remote Similarity NPD506 Clinical (unspecified phase)
0.6421 Remote Similarity NPD4793 Discontinued
0.6408 Remote Similarity NPD1932 Approved
0.64 Remote Similarity NPD1989 Approved
0.6389 Remote Similarity NPD2201 Approved
0.6373 Remote Similarity NPD7798 Approved
0.6372 Remote Similarity NPD9545 Approved
0.6353 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6346 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6346 Remote Similarity NPD1930 Approved
0.6346 Remote Similarity NPD9261 Approved
0.6346 Remote Similarity NPD1929 Approved
0.6339 Remote Similarity NPD9493 Approved
0.6327 Remote Similarity NPD1239 Approved
0.6327 Remote Similarity NPD1007 Discontinued
0.6316 Remote Similarity NPD5691 Approved
0.6289 Remote Similarity NPD800 Approved
0.6289 Remote Similarity NPD5347 Phase 2
0.6289 Remote Similarity NPD5346 Phase 2
0.6275 Remote Similarity NPD9495 Approved
0.6271 Remote Similarity NPD3225 Approved
0.6265 Remote Similarity NPD173 Clinical (unspecified phase)
0.6239 Remote Similarity NPD9717 Approved
0.6239 Remote Similarity NPD6637 Approved
0.6238 Remote Similarity NPD1843 Approved
0.6228 Remote Similarity NPD1894 Discontinued
0.6226 Remote Similarity NPD5048 Discontinued
0.6224 Remote Similarity NPD1090 Approved
0.6224 Remote Similarity NPD1089 Approved
0.6224 Remote Similarity NPD1086 Approved
0.6222 Remote Similarity NPD9294 Approved
0.6218 Remote Similarity NPD2797 Approved
0.6218 Remote Similarity NPD3267 Approved
0.6218 Remote Similarity NPD3266 Approved
0.6218 Remote Similarity NPD1203 Approved
0.6216 Remote Similarity NPD6010 Discontinued
0.6207 Remote Similarity NPD3496 Discontinued
0.6204 Remote Similarity NPD6831 Clinical (unspecified phase)
0.62 Remote Similarity NPD1563 Approved
0.6176 Remote Similarity NPD3495 Discontinued
0.6174 Remote Similarity NPD5585 Approved
0.6168 Remote Similarity NPD968 Approved
0.6154 Remote Similarity NPD6287 Discontinued
0.614 Remote Similarity NPD2347 Approved
0.614 Remote Similarity NPD5536 Phase 2
0.6139 Remote Similarity NPD1693 Approved
0.6139 Remote Similarity NPD688 Clinical (unspecified phase)
0.6132 Remote Similarity NPD1237 Approved
0.6121 Remote Similarity NPD4626 Approved
0.6121 Remote Similarity NPD17 Approved
0.6111 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6111 Remote Similarity NPD9267 Approved
0.6111 Remote Similarity NPD9263 Approved
0.6111 Remote Similarity NPD9264 Approved
0.6106 Remote Similarity NPD4198 Discontinued
0.61 Remote Similarity NPD1088 Approved
0.6098 Remote Similarity NPD2313 Discontinued
0.6078 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6066 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6066 Remote Similarity NPD6832 Phase 2
0.6058 Remote Similarity NPD9712 Approved
0.6055 Remote Similarity NPD9266 Approved
0.6055 Remote Similarity NPD2329 Discontinued
0.6055 Remote Similarity NPD74 Approved
0.6042 Remote Similarity NPD111 Approved
0.604 Remote Similarity NPD1066 Discontinued
0.6038 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6033 Remote Similarity NPD1019 Discontinued
0.6019 Remote Similarity NPD1565 Approved
0.6019 Remote Similarity NPD5706 Approved
0.6019 Remote Similarity NPD1564 Approved
0.6019 Remote Similarity NPD5704 Approved
0.6019 Remote Similarity NPD5705 Approved
0.6019 Remote Similarity NPD1566 Phase 3
0.6017 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6017 Remote Similarity NPD1535 Discovery
0.6017 Remote Similarity NPD1611 Approved
0.6 Remote Similarity NPD4307 Phase 2
0.6 Remote Similarity NPD2550 Approved
0.6 Remote Similarity NPD2549 Approved
0.6 Remote Similarity NPD2558 Approved
0.6 Remote Similarity NPD2198 Approved
0.6 Remote Similarity NPD2552 Approved
0.6 Remote Similarity NPD2555 Approved
0.6 Remote Similarity NPD2199 Approved
0.6 Remote Similarity NPD2553 Approved
0.5983 Remote Similarity NPD1778 Approved
0.5982 Remote Similarity NPD7094 Approved
0.5982 Remote Similarity NPD6858 Approved
0.598 Remote Similarity NPD2934 Approved
0.598 Remote Similarity NPD2933 Approved
0.5968 Remote Similarity NPD1296 Phase 2
0.5968 Remote Similarity NPD3268 Approved
0.5966 Remote Similarity NPD1608 Approved
0.5966 Remote Similarity NPD1877 Discontinued
0.5966 Remote Similarity NPD1481 Phase 2
0.5963 Remote Similarity NPD290 Approved
0.5962 Remote Similarity NPD9711 Approved
0.5962 Remote Similarity NPD9710 Approved
0.5957 Remote Similarity NPD9250 Approved
0.5943 Remote Similarity NPD4189 Approved
0.5943 Remote Similarity NPD4188 Approved
0.5932 Remote Similarity NPD3847 Discontinued
0.5926 Remote Similarity NPD1576 Approved
0.5922 Remote Similarity NPD2859 Approved
0.5922 Remote Similarity NPD2860 Approved
0.5917 Remote Similarity NPD4359 Approved
0.5913 Remote Similarity NPD4431 Clinical (unspecified phase)
0.5909 Remote Similarity NPD2684 Approved
0.5902 Remote Similarity NPD6007 Clinical (unspecified phase)
0.5902 Remote Similarity NPD2798 Approved
0.5893 Remote Similarity NPD9508 Approved
0.5887 Remote Similarity NPD5454 Clinical (unspecified phase)
0.5882 Remote Similarity NPD1281 Approved
0.5877 Remote Similarity NPD2629 Approved
0.5877 Remote Similarity NPD5951 Approved
0.5872 Remote Similarity NPD6685 Approved
0.5865 Remote Similarity NPD9566 Approved
0.5865 Remote Similarity NPD1100 Approved
0.5865 Remote Similarity NPD1099 Approved
0.5859 Remote Similarity NPD531 Approved
0.5856 Remote Similarity NPD5451 Approved
0.5856 Remote Similarity NPD1317 Discontinued
0.5847 Remote Similarity NPD3412 Clinical (unspecified phase)
0.5843 Remote Similarity NPD292 Approved
0.5843 Remote Similarity NPD294 Approved
0.5841 Remote Similarity NPD5277 Phase 2
0.584 Remote Similarity NPD3764 Approved
0.5833 Remote Similarity NPD3048 Approved
0.5833 Remote Similarity NPD3047 Approved
0.5833 Remote Similarity NPD3046 Approved
0.5833 Remote Similarity NPD3972 Approved
0.5827 Remote Similarity NPD4340 Discontinued
0.5827 Remote Similarity NPD1899 Clinical (unspecified phase)
0.5827 Remote Similarity NPD1933 Approved
0.5818 Remote Similarity NPD5979 Clinical (unspecified phase)
0.5814 Remote Similarity NPD3748 Approved
0.5814 Remote Similarity NPD4308 Phase 3
0.581 Remote Similarity NPD253 Approved
0.5794 Remote Similarity NPD2648 Phase 3
0.5794 Remote Similarity NPD2193 Phase 2
0.5794 Remote Similarity NPD2171 Approved
0.5785 Remote Similarity NPD4379 Clinical (unspecified phase)
0.5778 Remote Similarity NPD9728 Phase 1
0.5776 Remote Similarity NPD5292 Approved
0.5776 Remote Similarity NPD5291 Approved
0.5763 Remote Similarity NPD3535 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   9964365
ChEMBL   CHEMBL3358619
ZINC  

Physicochemical Properties

Molecular Weight:  198.07
ALogP:  0.7588
MLogP:  2.67
XLogP:  4.638
# Rotatable Bonds:  2
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  15

Download Data

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