Drug Information

Drug ID:  NPD1470
Drug Name:  Danthron
Molecular Formula:  C14H8O4
Canonical SMILES:  Oc1cccc2c1C(=O)c1c(C2=O)cccc1O
Standard InCHI:  InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
Standard InCHIKey:  QBPFLULOKWLNNW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1470

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC103540
High Similarity 0.9831 NPC375356
High Similarity 0.9752 NPC282923
High Similarity 0.9746 NPC300274
High Similarity 0.9672 NPC99731
High Similarity 0.9587 NPC96915
High Similarity 0.9587 NPC3224
High Similarity 0.9516 NPC205992
High Similarity 0.944 NPC70622
High Similarity 0.9421 NPC142956
High Similarity 0.9421 NPC173978
High Similarity 0.9365 NPC115458
High Similarity 0.9291 NPC44437
High Similarity 0.9291 NPC288089
High Similarity 0.928 NPC199253
High Similarity 0.928 NPC136588
High Similarity 0.9274 NPC48248
High Similarity 0.9268 NPC231774
High Similarity 0.9219 NPC283088
High Similarity 0.92 NPC146647
High Similarity 0.92 NPC34414
High Similarity 0.9167 NPC285829
High Similarity 0.9167 NPC206778
High Similarity 0.9147 NPC474813
High Similarity 0.9147 NPC272268
High Similarity 0.9147 NPC141934
High Similarity 0.9134 NPC58685
High Similarity 0.9127 NPC31799
High Similarity 0.9098 NPC307174
High Similarity 0.9098 NPC91478
High Similarity 0.9077 NPC245923
High Similarity 0.9077 NPC53206
High Similarity 0.9077 NPC53414
High Similarity 0.9062 NPC294226
High Similarity 0.9062 NPC52407
High Similarity 0.9062 NPC225051
High Similarity 0.9055 NPC244699
High Similarity 0.9016 NPC120545
High Similarity 0.9008 NPC416
High Similarity 0.9008 NPC13715
High Similarity 0.9008 NPC61398
High Similarity 0.9 NPC254847
High Similarity 0.8992 NPC108288
High Similarity 0.8976 NPC55949
High Similarity 0.8976 NPC475741
High Similarity 0.896 NPC306765
High Similarity 0.8952 NPC310540
High Similarity 0.8939 NPC1268
High Similarity 0.8939 NPC242994
High Similarity 0.8939 NPC138099
High Similarity 0.8939 NPC26924
High Similarity 0.8931 NPC471905
High Similarity 0.8931 NPC147418
High Similarity 0.8923 NPC80035
High Similarity 0.8923 NPC161632
High Similarity 0.8915 NPC53896
High Similarity 0.8915 NPC314048
High Similarity 0.8906 NPC474517
High Similarity 0.8906 NPC72669
High Similarity 0.8872 NPC203063
High Similarity 0.8872 NPC315578
High Similarity 0.8872 NPC181560
High Similarity 0.8872 NPC169452
High Similarity 0.8872 NPC96421
High Similarity 0.8855 NPC193358
High Similarity 0.8855 NPC155211
High Similarity 0.8846 NPC287604
High Similarity 0.8846 NPC472262
High Similarity 0.8846 NPC50924
High Similarity 0.8846 NPC161964
High Similarity 0.8837 NPC246693
High Similarity 0.8837 NPC110609
High Similarity 0.8837 NPC242358
High Similarity 0.881 NPC1991
High Similarity 0.8806 NPC124365
High Similarity 0.88 NPC234890
High Similarity 0.88 NPC74507
High Similarity 0.8797 NPC143438
High Similarity 0.8797 NPC190457
High Similarity 0.8788 NPC305060
High Similarity 0.8779 NPC258502
High Similarity 0.877 NPC232178
High Similarity 0.8769 NPC267205
High Similarity 0.876 NPC93015
High Similarity 0.875 NPC278928
High Similarity 0.875 NPC161304
High Similarity 0.8741 NPC257644
High Similarity 0.8741 NPC239136
High Similarity 0.8741 NPC73061
High Similarity 0.8741 NPC19631
High Similarity 0.8741 NPC193555
High Similarity 0.874 NPC471530
High Similarity 0.8731 NPC225243
High Similarity 0.8722 NPC4214
High Similarity 0.8702 NPC166480
High Similarity 0.8702 NPC282780
High Similarity 0.8699 NPC7151
High Similarity 0.8699 NPC216297
High Similarity 0.8699 NPC473662
High Similarity 0.8692 NPC309430
High Similarity 0.8682 NPC31539
High Similarity 0.8678 NPC477453
High Similarity 0.8676 NPC471682
High Similarity 0.8676 NPC238629
High Similarity 0.8672 NPC234175
High Similarity 0.8672 NPC165257
High Similarity 0.8672 NPC237225
High Similarity 0.8667 NPC290550
High Similarity 0.8667 NPC246638
High Similarity 0.8667 NPC204045
High Similarity 0.8667 NPC305845
High Similarity 0.8661 NPC8745
High Similarity 0.8661 NPC160499
High Similarity 0.8651 NPC152525
High Similarity 0.8651 NPC68756
High Similarity 0.8651 NPC236189
High Similarity 0.864 NPC283514
High Similarity 0.8626 NPC171968
High Similarity 0.8615 NPC17083
High Similarity 0.8613 NPC193703
High Similarity 0.8613 NPC21599
High Similarity 0.8603 NPC135524
High Similarity 0.8603 NPC474300
High Similarity 0.8593 NPC183345
High Similarity 0.8583 NPC10926
High Similarity 0.8582 NPC61590
High Similarity 0.8571 NPC191976
High Similarity 0.8571 NPC315275
High Similarity 0.8561 NPC12070
High Similarity 0.8561 NPC1249
High Similarity 0.856 NPC198336
High Similarity 0.8551 NPC471683
High Similarity 0.854 NPC476473
High Similarity 0.8538 NPC198305
High Similarity 0.8538 NPC117609
High Similarity 0.8529 NPC477275
High Similarity 0.8527 NPC247250
High Similarity 0.8527 NPC95537
High Similarity 0.8527 NPC767
High Similarity 0.8519 NPC295339
High Similarity 0.8519 NPC103337
High Similarity 0.8519 NPC114620
High Similarity 0.8516 NPC51037
High Similarity 0.8507 NPC62272
High Similarity 0.8504 NPC13238
Intermediate Similarity 0.8496 NPC249272
Intermediate Similarity 0.8492 NPC244351
Intermediate Similarity 0.8489 NPC147250
Intermediate Similarity 0.8489 NPC300540
Intermediate Similarity 0.8485 NPC254603
Intermediate Similarity 0.8485 NPC114183
Intermediate Similarity 0.8478 NPC19896
Intermediate Similarity 0.8478 NPC471906
Intermediate Similarity 0.8478 NPC244691
Intermediate Similarity 0.8478 NPC48762
Intermediate Similarity 0.8467 NPC469520
Intermediate Similarity 0.8467 NPC69755
Intermediate Similarity 0.8462 NPC92624
Intermediate Similarity 0.8462 NPC109123
Intermediate Similarity 0.8443 NPC240163
Intermediate Similarity 0.8429 NPC119767
Intermediate Similarity 0.8425 NPC135062
Intermediate Similarity 0.8421 NPC270899
Intermediate Similarity 0.8417 NPC34482
Intermediate Similarity 0.8409 NPC175738
Intermediate Similarity 0.8406 NPC66593
Intermediate Similarity 0.8397 NPC259942
Intermediate Similarity 0.8394 NPC187843
Intermediate Similarity 0.8394 NPC91019
Intermediate Similarity 0.8394 NPC106519
Intermediate Similarity 0.839 NPC141523
Intermediate Similarity 0.8387 NPC41567
Intermediate Similarity 0.8385 NPC96024
Intermediate Similarity 0.8385 NPC179898
Intermediate Similarity 0.8382 NPC111422
Intermediate Similarity 0.8382 NPC476477
Intermediate Similarity 0.8382 NPC216312
Intermediate Similarity 0.8382 NPC306835
Intermediate Similarity 0.8382 NPC256463
Intermediate Similarity 0.8382 NPC299405
Intermediate Similarity 0.8382 NPC471602
Intermediate Similarity 0.8382 NPC29771
Intermediate Similarity 0.837 NPC53001
Intermediate Similarity 0.8358 NPC22222
Intermediate Similarity 0.8358 NPC281513
Intermediate Similarity 0.8357 NPC470570
Intermediate Similarity 0.8346 NPC32032
Intermediate Similarity 0.8346 NPC133909
Intermediate Similarity 0.8345 NPC79627
Intermediate Similarity 0.8345 NPC10764
Intermediate Similarity 0.8333 NPC85310
Intermediate Similarity 0.8333 NPC474961
Intermediate Similarity 0.8333 NPC85342
Intermediate Similarity 0.8333 NPC41847
Intermediate Similarity 0.8333 NPC472046
Intermediate Similarity 0.8333 NPC137649
Intermediate Similarity 0.8321 NPC37992
Intermediate Similarity 0.8321 NPC25736
Intermediate Similarity 0.8321 NPC57552
Intermediate Similarity 0.8321 NPC276238

Drug Structure

External Identifiers

TTD   DNAP001607
DrugBank   DB04816
ChEMBL   CHEMBL53418
IUPHAR/BPS  
PharmaGKB   PA449206
KEGG Drug   D07107
PubChem CID   2950
ChEBI   3682
CAS Number  117-10-2

Drug Properties

Molecular Weight  240.04
ALogP  -1.4482
MLogP  2.56
XLogP  1.304
HDA  2
HBD  2
Rotatable Bonds  2
TPSA  74.6
RO5 Violation  0