Natural Product: NPC99846

Natural Product ID:  NPC99846
Common Name:   Corfin
IUPAC Name:   3-but-1-ynylisochromen-1-one
Synonyms:   Corfin
Molecular Formula:   C13H10O2
Standard InCHIKey:  HXCUAJOYXLPFND-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,2H2,1H3
Canonical SMILES:  CCC#Cc1cc2ccccc2c(=O)o1
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
NPO24016 Cladanthus mixtus Species Asteraceae Eukaryota Roots PMID[14738379]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea EC90 = 99 ug/ml 11929285
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea EC50 = 3 ug/ml 11929285
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea MIC = 100 ug/ml 11929285
NPT1780 Organism Davidiella tassiana Davidiella tassiana MIC > 100 ug 17571903

  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 NPC99846 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
1.0 High Similarity NPC269023
0.97 High Similarity NPC209632
0.96 High Similarity NPC114594
0.9434 High Similarity NPC210092
0.9434 High Similarity NPC474685
0.9238 High Similarity NPC243355
0.9238 High Similarity NPC474157
0.9223 High Similarity NPC30594
0.9223 High Similarity NPC37622
0.9118 High Similarity NPC60679
0.9065 High Similarity NPC272524
0.8981 High Similarity NPC308744
0.8704 High Similarity NPC210089
0.8692 High Similarity NPC265407
0.8692 High Similarity NPC83628
0.8679 High Similarity NPC119271
0.8667 High Similarity NPC31786
0.8654 High Similarity NPC45613
0.8649 High Similarity NPC100353
0.8641 High Similarity NPC325497
0.8627 High Similarity NPC92754
0.8627 High Similarity NPC249912
0.8627 High Similarity NPC276775
0.8624 High Similarity NPC212415
0.8614 High Similarity NPC130398
0.8598 High Similarity NPC56493
0.8571 High Similarity NPC89886
0.8558 High Similarity NPC42211
0.8544 High Similarity NPC225060
0.8544 High Similarity NPC78701
0.8544 High Similarity NPC35448
0.8519 High Similarity NPC17417
0.8519 High Similarity NPC10251
0.8482 Intermediate Similarity NPC149691
0.8468 Intermediate Similarity NPC196075
0.8462 Intermediate Similarity NPC118343
0.8462 Intermediate Similarity NPC146351
0.844 Intermediate Similarity NPC196246
0.844 Intermediate Similarity NPC174099
0.844 Intermediate Similarity NPC214067
0.844 Intermediate Similarity NPC251854
0.844 Intermediate Similarity NPC93084
0.8396 Intermediate Similarity NPC301943
0.8396 Intermediate Similarity NPC474365
0.8381 Intermediate Similarity NPC70624
0.8365 Intermediate Similarity NPC229242
0.8364 Intermediate Similarity NPC167504
0.8364 Intermediate Similarity NPC476003
0.8364 Intermediate Similarity NPC305912
0.8364 Intermediate Similarity NPC260818
0.8364 Intermediate Similarity NPC1082
0.8349 Intermediate Similarity NPC474364
0.8349 Intermediate Similarity NPC85493
0.8304 Intermediate Similarity NPC477411
0.8304 Intermediate Similarity NPC307651
0.8288 Intermediate Similarity NPC82899
0.8288 Intermediate Similarity NPC321852
0.8288 Intermediate Similarity NPC79496
0.8288 Intermediate Similarity NPC270699
0.8286 Intermediate Similarity NPC203925
0.8257 Intermediate Similarity NPC470391
0.822 Intermediate Similarity NPC46634
0.8214 Intermediate Similarity NPC128368
0.8214 Intermediate Similarity NPC13784
0.8198 Intermediate Similarity NPC291799
0.8182 Intermediate Similarity NPC469636
0.8182 Intermediate Similarity NPC181715
0.8158 Intermediate Similarity NPC226093
0.8142 Intermediate Similarity NPC153053
0.8131 Intermediate Similarity NPC188895
0.8073 Intermediate Similarity NPC269457
0.807 Intermediate Similarity NPC228936
0.807 Intermediate Similarity NPC306740
0.8056 Intermediate Similarity NPC255676
0.8053 Intermediate Similarity NPC161611
0.8 Intermediate Similarity NPC318107
0.8 Intermediate Similarity NPC135730
0.7981 Intermediate Similarity NPC261181
0.7965 Intermediate Similarity NPC158282
0.7965 Intermediate Similarity NPC474314
0.7963 Intermediate Similarity NPC284477
0.7946 Intermediate Similarity NPC273837
0.7941 Intermediate Similarity NPC173443
0.7934 Intermediate Similarity NPC91475
0.7934 Intermediate Similarity NPC265910
0.7921 Intermediate Similarity NPC96625
0.7913 Intermediate Similarity NPC474408
0.787 Intermediate Similarity NPC282895
0.787 Intermediate Similarity NPC112552
0.7863 Intermediate Similarity NPC228318
0.7863 Intermediate Similarity NPC45104
0.7826 Intermediate Similarity NPC237366
0.7818 Intermediate Similarity NPC269644
0.7815 Intermediate Similarity NPC473243
0.7815 Intermediate Similarity NPC232958
0.7805 Intermediate Similarity NPC51292
0.7798 Intermediate Similarity NPC304873
0.7798 Intermediate Similarity NPC25458
0.7787 Intermediate Similarity NPC246166
0.7787 Intermediate Similarity NPC295664
0.7787 Intermediate Similarity NPC107846
0.7778 Intermediate Similarity NPC217621
0.7778 Intermediate Similarity NPC470860
0.7769 Intermediate Similarity NPC223351
0.7759 Intermediate Similarity NPC474095
0.7757 Intermediate Similarity NPC253423
0.7757 Intermediate Similarity NPC270654
0.775 Intermediate Similarity NPC50872
0.775 Intermediate Similarity NPC144547
0.7748 Intermediate Similarity NPC105899
0.7745 Intermediate Similarity NPC89377
0.7739 Intermediate Similarity NPC474176
0.7736 Intermediate Similarity NPC5472
0.7731 Intermediate Similarity NPC204784
0.7724 Intermediate Similarity NPC121272
0.7712 Intermediate Similarity NPC217423
0.7699 Intermediate Similarity NPC318327
0.7699 Intermediate Similarity NPC192577
0.7699 Intermediate Similarity NPC281604
0.7692 Intermediate Similarity NPC62765
0.7692 Intermediate Similarity NPC188907
0.7692 Intermediate Similarity NPC220540
0.7679 Intermediate Similarity NPC1065
0.7672 Intermediate Similarity NPC474363
0.767 Intermediate Similarity NPC304760
0.7667 Intermediate Similarity NPC988
0.7667 Intermediate Similarity NPC289432
0.7652 Intermediate Similarity NPC66208
0.7652 Intermediate Similarity NPC23332
0.7642 Intermediate Similarity NPC23453
0.7619 Intermediate Similarity NPC119631
0.7615 Intermediate Similarity NPC472318
0.7615 Intermediate Similarity NPC98911
0.7611 Intermediate Similarity NPC156648
0.7607 Intermediate Similarity NPC81808
0.7607 Intermediate Similarity NPC470764
0.7607 Intermediate Similarity NPC186933
0.7596 Intermediate Similarity NPC220893
0.7568 Intermediate Similarity NPC234305
0.7565 Intermediate Similarity NPC183648
0.7565 Intermediate Similarity NPC137315
0.7563 Intermediate Similarity NPC240664
0.7561 Intermediate Similarity NPC228739
0.7549 Intermediate Similarity NPC58616
0.7549 Intermediate Similarity NPC294134
0.7547 Intermediate Similarity NPC77273
0.7544 Intermediate Similarity NPC40178
0.7525 Intermediate Similarity NPC288903
0.7521 Intermediate Similarity NPC470092
0.7521 Intermediate Similarity NPC279916
0.7521 Intermediate Similarity NPC230951
0.7521 Intermediate Similarity NPC238861
0.7521 Intermediate Similarity NPC77000
0.75 Intermediate Similarity NPC94298
0.75 Intermediate Similarity NPC27633
0.75 Intermediate Similarity NPC470163
0.75 Intermediate Similarity NPC85977
0.75 Intermediate Similarity NPC32298
0.75 Intermediate Similarity NPC71795
0.75 Intermediate Similarity NPC61944
0.75 Intermediate Similarity NPC470162
0.75 Intermediate Similarity NPC94637
0.748 Intermediate Similarity NPC471832
0.7479 Intermediate Similarity NPC131192
0.7479 Intermediate Similarity NPC128825
0.7479 Intermediate Similarity NPC190298
0.7478 Intermediate Similarity NPC234639
0.7478 Intermediate Similarity NPC259554
0.7477 Intermediate Similarity NPC244427
0.7477 Intermediate Similarity NPC222390
0.746 Intermediate Similarity NPC37512
0.7456 Intermediate Similarity NPC47536
0.7456 Intermediate Similarity NPC211439
0.7456 Intermediate Similarity NPC203732
0.7456 Intermediate Similarity NPC249811
0.7453 Intermediate Similarity NPC110704
0.744 Intermediate Similarity NPC275576
0.744 Intermediate Similarity NPC470765
0.744 Intermediate Similarity NPC476599
0.744 Intermediate Similarity NPC165556
0.7438 Intermediate Similarity NPC328459
0.7438 Intermediate Similarity NPC90522
0.7438 Intermediate Similarity NPC61779
0.7438 Intermediate Similarity NPC54243
0.7436 Intermediate Similarity NPC17693
0.7431 Intermediate Similarity NPC156021
0.7426 Intermediate Similarity NPC99240
0.7422 Intermediate Similarity NPC475478
0.7422 Intermediate Similarity NPC473271
0.7419 Intermediate Similarity NPC182646
0.7417 Intermediate Similarity NPC469574
0.7417 Intermediate Similarity NPC469954
0.7414 Intermediate Similarity NPC474057
0.7411 Intermediate Similarity NPC274443
0.7411 Intermediate Similarity NPC329556
0.7404 Intermediate Similarity NPC286608
0.7404 Intermediate Similarity NPC169050
0.7387 Intermediate Similarity NPC473325
0.7381 Intermediate Similarity NPC470753
0.7381 Intermediate Similarity NPC473220

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC99846 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
0.8667 High Similarity NPD164 Approved
0.8624 High Similarity NPD1609 Clinical (unspecified phase)
0.8532 High Similarity NPD2181 Clinical (unspecified phase)
0.8519 High Similarity NPD2182 Approved
0.8462 Intermediate Similarity NPD1238 Approved
0.8 Intermediate Similarity NPD9259 Approved
0.8 Intermediate Similarity NPD9257 Approved
0.7981 Intermediate Similarity NPD1202 Approved
0.7913 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD5909 Discontinued
0.7692 Intermediate Similarity NPD9258 Approved
0.7692 Intermediate Similarity NPD9256 Approved
0.7544 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD1241 Discontinued
0.7521 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD9545 Approved
0.7479 Intermediate Similarity NPD9493 Approved
0.7458 Intermediate Similarity NPD5951 Approved
0.7411 Intermediate Similarity NPD1929 Approved
0.7411 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD1930 Approved
0.7407 Intermediate Similarity NPD9260 Approved
0.7404 Intermediate Similarity NPD1282 Approved
0.7398 Intermediate Similarity NPD518 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD6287 Discontinued
0.736 Intermediate Similarity NPD1876 Approved
0.7344 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD9717 Approved
0.7328 Intermediate Similarity NPD2067 Discontinued
0.73 Intermediate Similarity NPD9490 Approved
0.7297 Intermediate Similarity NPD2066 Phase 3
0.7287 Intermediate Similarity NPD3764 Approved
0.7281 Intermediate Similarity NPD9697 Approved
0.7266 Intermediate Similarity NPD6832 Phase 2
0.7258 Intermediate Similarity NPD1281 Approved
0.7257 Intermediate Similarity NPD9261 Approved
0.7244 Intermediate Similarity NPD2798 Approved
0.7238 Intermediate Similarity NPD1087 Approved
0.7238 Intermediate Similarity NPD650 Approved
0.7236 Intermediate Similarity NPD17 Approved
0.7218 Intermediate Similarity NPD3748 Approved
0.7209 Intermediate Similarity NPD7008 Discontinued
0.72 Intermediate Similarity NPD3972 Approved
0.7193 Intermediate Similarity NPD1237 Approved
0.7184 Intermediate Similarity NPD9491 Approved
0.7182 Intermediate Similarity NPD1989 Approved
0.7176 Intermediate Similarity NPD4307 Phase 2
0.7165 Intermediate Similarity NPD1203 Approved
0.7165 Intermediate Similarity NPD3266 Approved
0.7165 Intermediate Similarity NPD3267 Approved
0.7165 Intermediate Similarity NPD2797 Approved
0.7154 Intermediate Similarity NPD2313 Discontinued
0.712 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD2346 Discontinued
0.7109 Intermediate Similarity NPD1019 Discontinued
0.7091 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD2199 Approved
0.7087 Intermediate Similarity NPD2198 Approved
0.7087 Intermediate Similarity NPD1283 Approved
0.7069 Intermediate Similarity NPD3134 Approved
0.7063 Intermediate Similarity NPD1608 Approved
0.7054 Intermediate Similarity NPD9495 Approved
0.7037 Intermediate Similarity NPD1086 Approved
0.7037 Intermediate Similarity NPD1089 Approved
0.7037 Intermediate Similarity NPD1090 Approved
0.703 Intermediate Similarity NPD227 Approved
0.703 Intermediate Similarity NPD225 Approved
0.7018 Intermediate Similarity NPD1932 Approved
0.7009 Intermediate Similarity NPD9267 Approved
0.7009 Intermediate Similarity NPD9263 Approved
0.7009 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD1358 Approved
0.7009 Intermediate Similarity NPD9264 Approved
0.7 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1563 Approved
0.6977 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6972 Remote Similarity NPD1239 Approved
0.6972 Remote Similarity NPD7609 Phase 3
0.6963 Remote Similarity NPD4308 Phase 3
0.6963 Remote Similarity NPD2799 Discontinued
0.6957 Remote Similarity NPD3750 Approved
0.6949 Remote Similarity NPD74 Approved
0.6949 Remote Similarity NPD9266 Approved
0.6944 Remote Similarity NPD800 Approved
0.6937 Remote Similarity NPD1693 Approved
0.6935 Remote Similarity NPD1894 Discontinued
0.6934 Remote Similarity NPD970 Clinical (unspecified phase)
0.6911 Remote Similarity NPD405 Clinical (unspecified phase)
0.6909 Remote Similarity NPD7631 Approved
0.6909 Remote Similarity NPD1088 Approved
0.6894 Remote Similarity NPD3268 Approved
0.6891 Remote Similarity NPD5236 Approved
0.6891 Remote Similarity NPD5237 Approved
0.6891 Remote Similarity NPD5235 Approved
0.6891 Remote Similarity NPD5239 Approved
0.6891 Remote Similarity NPD5240 Approved
0.6881 Remote Similarity NPD3673 Approved
0.6881 Remote Similarity NPD3672 Approved
0.688 Remote Similarity NPD5691 Approved
0.688 Remote Similarity NPD1651 Approved
0.688 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6866 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6866 Remote Similarity NPD1933 Approved
0.6861 Remote Similarity NPD2343 Clinical (unspecified phase)
0.686 Remote Similarity NPD5277 Phase 2
0.6835 Remote Similarity NPD7003 Approved
0.6833 Remote Similarity NPD2201 Approved
0.6827 Remote Similarity NPD942 Approved
0.6827 Remote Similarity NPD226 Approved
0.6825 Remote Similarity NPD5305 Approved
0.6825 Remote Similarity NPD5306 Approved
0.6814 Remote Similarity NPD1566 Phase 3
0.6814 Remote Similarity NPD1565 Approved
0.6814 Remote Similarity NPD1564 Approved
0.681 Remote Similarity NPD6647 Phase 2
0.6807 Remote Similarity NPD2329 Discontinued
0.6797 Remote Similarity NPD1481 Phase 2
0.6797 Remote Similarity NPD6637 Approved
0.6791 Remote Similarity NPD2979 Phase 3
0.6777 Remote Similarity NPD9508 Approved
0.6769 Remote Similarity NPD553 Approved
0.6769 Remote Similarity NPD552 Approved
0.6769 Remote Similarity NPD9567 Approved
0.6767 Remote Similarity NPD411 Approved
0.6757 Remote Similarity NPD1508 Approved
0.6748 Remote Similarity NPD2629 Approved
0.6746 Remote Similarity NPD5585 Approved
0.6744 Remote Similarity NPD182 Clinical (unspecified phase)
0.6741 Remote Similarity NPD447 Suspended
0.6739 Remote Similarity NPD2353 Approved
0.6739 Remote Similarity NPD1471 Phase 3
0.6739 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6721 Remote Similarity NPD5535 Approved
0.672 Remote Similarity NPD2347 Approved
0.6719 Remote Similarity NPD1535 Discovery
0.6716 Remote Similarity NPD8032 Phase 2
0.6714 Remote Similarity NPD4628 Phase 3
0.6713 Remote Similarity NPD6273 Approved
0.6698 Remote Similarity NPD3971 Phase 1
0.6693 Remote Similarity NPD4626 Approved
0.6692 Remote Similarity NPD5667 Approved
0.6692 Remote Similarity NPD6966 Discovery
0.6667 Remote Similarity NPD3142 Approved
0.6667 Remote Similarity NPD3495 Discontinued
0.6667 Remote Similarity NPD2935 Discontinued
0.6667 Remote Similarity NPD4878 Approved
0.6667 Remote Similarity NPD3373 Approved
0.6667 Remote Similarity NPD3140 Approved
0.6643 Remote Similarity NPD1243 Approved
0.6643 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6642 Remote Similarity NPD2567 Approved
0.6642 Remote Similarity NPD2569 Approved
0.6642 Remote Similarity NPD1296 Phase 2
0.6641 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6641 Remote Similarity NPD1164 Approved
0.6619 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6619 Remote Similarity NPD7611 Approved
0.6614 Remote Similarity NPD4105 Approved
0.6614 Remote Similarity NPD4102 Approved
0.6613 Remote Similarity NPD9281 Approved
0.6609 Remote Similarity NPD5926 Approved
0.6596 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6593 Remote Similarity NPD7713 Phase 3
0.6591 Remote Similarity NPD2788 Approved
0.6589 Remote Similarity NPD1611 Approved
0.6589 Remote Similarity NPD422 Phase 1
0.6589 Remote Similarity NPD1201 Approved
0.6579 Remote Similarity NPD1843 Approved
0.6575 Remote Similarity NPD3226 Approved
0.6569 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6567 Remote Similarity NPD6039 Approved
0.6565 Remote Similarity NPD3225 Approved
0.656 Remote Similarity NPD4198 Discontinued
0.6557 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6549 Remote Similarity NPD2354 Approved
0.6549 Remote Similarity NPD3887 Approved
0.6547 Remote Similarity NPD2796 Approved
0.6547 Remote Similarity NPD1551 Phase 2
0.6547 Remote Similarity NPD2531 Phase 2
0.6547 Remote Similarity NPD4476 Approved
0.6547 Remote Similarity NPD2438 Suspended
0.6547 Remote Similarity NPD4477 Approved
0.6544 Remote Similarity NPD1240 Approved
0.6538 Remote Similarity NPD1877 Discontinued
0.6515 Remote Similarity NPD1470 Approved
0.6512 Remote Similarity NPD4106 Approved
0.6512 Remote Similarity NPD4136 Approved
0.6512 Remote Similarity NPD3847 Discontinued
0.6512 Remote Similarity NPD4135 Approved
0.6508 Remote Similarity NPD694 Clinical (unspecified phase)
0.6504 Remote Similarity NPD969 Suspended
0.6503 Remote Similarity NPD7236 Approved
0.65 Remote Similarity NPD2344 Approved
0.6496 Remote Similarity NPD230 Phase 1
0.6496 Remote Similarity NPD4622 Approved
0.6496 Remote Similarity NPD4618 Approved
0.6489 Remote Similarity NPD4359 Approved
0.6486 Remote Similarity NPD5347 Phase 2
0.6486 Remote Similarity NPD5346 Phase 2

Structure

External Identifiers

PubChem CID   11344623
ChEMBL   CHEMBL503684
ZINC  

Physicochemical Properties

Molecular Weight:  198.07
ALogP:  0.8272
MLogP:  2.67
XLogP:  4.644
# Rotatable Bonds:  1
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