Drug Information

Drug ID:  NPD37
Drug Name:  Podophyllin
Molecular Formula:  2C22H24O9.2C22H22O8
Canonical SMILES:  OCC1C(O)c2cc3OCOc3cc2C(C1C(=O)O)c1cc(OC)c(c(c1)OC)OC.OCC1C(O)c2cc3OCOc3cc2C(C1C(=O)O)c1cc(OC)c(c(c1)OC)OC.COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O.COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O
Standard InCHI:  InChI=1S/2C22H24O9.2C22H22O8/c2*1-27-16-4-10(5-17(28-2)21(16)29-3)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(25)26;2*1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h2*4-7,13,18-20,23-24H,8-9H2,1-3H3,(H,25,26);2*4-7,13,18-20,23H,8-9H2,1-3H3
Standard InCHIKey:  KOUZYZCESNTXJO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD37

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 NPC245948
High Similarity 0.9797 NPC32373
High Similarity 0.9797 NPC237946
High Similarity 0.9732 NPC207584
High Similarity 0.9732 NPC19947
High Similarity 0.9603 NPC150943
High Similarity 0.9603 NPC268718
High Similarity 0.9603 NPC119910
High Similarity 0.9603 NPC91634
High Similarity 0.9539 NPC288149
High Similarity 0.9474 NPC96593
High Similarity 0.9463 NPC178574
High Similarity 0.9463 NPC65591
High Similarity 0.9459 NPC210642
High Similarity 0.9459 NPC13985
High Similarity 0.9416 NPC116759
High Similarity 0.9416 NPC14294
High Similarity 0.9412 NPC100465
High Similarity 0.9412 NPC152424
High Similarity 0.9342 NPC181168
High Similarity 0.9342 NPC115281
High Similarity 0.9342 NPC163527
High Similarity 0.9286 NPC115624
High Similarity 0.9272 NPC103197
High Similarity 0.9272 NPC273578
High Similarity 0.9272 NPC30009
High Similarity 0.9262 NPC149505
High Similarity 0.9257 NPC304821
High Similarity 0.9236 NPC185498
High Similarity 0.9231 NPC222531
High Similarity 0.9189 NPC304687
High Similarity 0.9189 NPC101755
High Similarity 0.9189 NPC104024
High Similarity 0.9189 NPC65574
High Similarity 0.9189 NPC80230
High Similarity 0.9172 NPC306475
High Similarity 0.9139 NPC56184
High Similarity 0.9133 NPC24425
High Similarity 0.9119 NPC179240
High Similarity 0.9067 NPC177476
High Similarity 0.9067 NPC262455
High Similarity 0.9067 NPC477698
High Similarity 0.902 NPC136757
High Similarity 0.9 NPC325720
High Similarity 0.9 NPC316676
High Similarity 0.8961 NPC238834
High Similarity 0.8947 NPC164082
High Similarity 0.8947 NPC303519
High Similarity 0.894 NPC474965
High Similarity 0.894 NPC174512
High Similarity 0.894 NPC477695
High Similarity 0.894 NPC293757
High Similarity 0.894 NPC668
High Similarity 0.8931 NPC174734
High Similarity 0.8931 NPC474042
High Similarity 0.8896 NPC473425
High Similarity 0.8889 NPC477699
High Similarity 0.8882 NPC473989
High Similarity 0.8875 NPC471180
High Similarity 0.8874 NPC40654
High Similarity 0.8874 NPC262804
High Similarity 0.8854 NPC474770
High Similarity 0.8851 NPC40237
High Similarity 0.8851 NPC151423
High Similarity 0.8851 NPC287124
High Similarity 0.8831 NPC474606
High Similarity 0.8831 NPC24562
High Similarity 0.8824 NPC475756
High Similarity 0.8824 NPC477700
High Similarity 0.882 NPC117911
High Similarity 0.8816 NPC216223
High Similarity 0.8816 NPC145569
High Similarity 0.8792 NPC477696
High Similarity 0.8792 NPC470811
High Similarity 0.8792 NPC324962
High Similarity 0.8792 NPC474288
High Similarity 0.8792 NPC477697
High Similarity 0.8774 NPC178195
High Similarity 0.8774 NPC348849
High Similarity 0.8774 NPC312763
High Similarity 0.8766 NPC471154
High Similarity 0.8766 NPC476434
High Similarity 0.8758 NPC229882
High Similarity 0.8758 NPC158635
High Similarity 0.8758 NPC311912
High Similarity 0.8742 NPC321696
High Similarity 0.8742 NPC212890
High Similarity 0.8742 NPC3982
High Similarity 0.8742 NPC321958
High Similarity 0.8733 NPC141569
High Similarity 0.8733 NPC218841
High Similarity 0.8733 NPC166884
High Similarity 0.8733 NPC475000
High Similarity 0.8733 NPC92693
High Similarity 0.8733 NPC477701
High Similarity 0.8725 NPC210354
High Similarity 0.8725 NPC229172
High Similarity 0.8725 NPC191231
High Similarity 0.8725 NPC103637
High Similarity 0.8725 NPC52664
High Similarity 0.8725 NPC176586
High Similarity 0.8725 NPC230538
High Similarity 0.8725 NPC36531
High Similarity 0.8712 NPC471181
High Similarity 0.871 NPC115466
High Similarity 0.871 NPC61604
High Similarity 0.871 NPC474514
High Similarity 0.871 NPC245615
High Similarity 0.871 NPC299706
High Similarity 0.8707 NPC196420
High Similarity 0.8704 NPC88557
High Similarity 0.8701 NPC32079
High Similarity 0.8699 NPC44245
High Similarity 0.8699 NPC72796
High Similarity 0.8696 NPC83049
High Similarity 0.8696 NPC118162
High Similarity 0.8696 NPC320471
High Similarity 0.8693 NPC125570
High Similarity 0.8688 NPC475865
High Similarity 0.8675 NPC477702
High Similarity 0.8675 NPC318286
High Similarity 0.8675 NPC327651
High Similarity 0.8675 NPC475868
High Similarity 0.8671 NPC173726
High Similarity 0.8671 NPC241600
High Similarity 0.8671 NPC474043
High Similarity 0.8667 NPC218510
High Similarity 0.8667 NPC106920
High Similarity 0.8667 NPC76415
High Similarity 0.8667 NPC273657
High Similarity 0.8662 NPC29727
High Similarity 0.8662 NPC473323
High Similarity 0.8645 NPC302610
High Similarity 0.8642 NPC79322
High Similarity 0.8636 NPC260781
High Similarity 0.8636 NPC469706
High Similarity 0.8636 NPC182368
High Similarity 0.8636 NPC185955
High Similarity 0.8636 NPC145979
High Similarity 0.8636 NPC9933
High Similarity 0.8636 NPC225815
High Similarity 0.8636 NPC218041
High Similarity 0.8636 NPC469707
High Similarity 0.8636 NPC214326
High Similarity 0.8625 NPC116838
High Similarity 0.8625 NPC22130
High Similarity 0.8618 NPC33832
High Similarity 0.8618 NPC193779
High Similarity 0.8616 NPC63061
High Similarity 0.8616 NPC470637
High Similarity 0.8609 NPC326144
High Similarity 0.8609 NPC239254
High Similarity 0.8609 NPC191158
High Similarity 0.8609 NPC172171
High Similarity 0.8609 NPC177644
High Similarity 0.8599 NPC234730
High Similarity 0.8599 NPC476065
High Similarity 0.8599 NPC38699
High Similarity 0.859 NPC16791
High Similarity 0.859 NPC217708
High Similarity 0.859 NPC297271
High Similarity 0.859 NPC308739
High Similarity 0.859 NPC77237
High Similarity 0.859 NPC53669
High Similarity 0.859 NPC126405
High Similarity 0.859 NPC473236
High Similarity 0.8581 NPC474039
High Similarity 0.8581 NPC224472
High Similarity 0.8571 NPC469475
High Similarity 0.8571 NPC150534
High Similarity 0.8571 NPC211386
High Similarity 0.8571 NPC469518
High Similarity 0.8562 NPC196937
High Similarity 0.8562 NPC191352
High Similarity 0.8562 NPC319749
High Similarity 0.8562 NPC209411
High Similarity 0.8562 NPC258322
High Similarity 0.8562 NPC239890
High Similarity 0.8554 NPC196771
High Similarity 0.8553 NPC125713
High Similarity 0.8553 NPC197352
High Similarity 0.8553 NPC166506
High Similarity 0.8553 NPC230531
High Similarity 0.8553 NPC110763
High Similarity 0.8553 NPC325122
High Similarity 0.8553 NPC474158
High Similarity 0.8553 NPC189239
High Similarity 0.8553 NPC215400
High Similarity 0.8544 NPC163635
High Similarity 0.8544 NPC477380
High Similarity 0.8544 NPC478055
High Similarity 0.8537 NPC477883
High Similarity 0.8535 NPC198461
High Similarity 0.8533 NPC100675
High Similarity 0.8533 NPC29599
High Similarity 0.8533 NPC470991
High Similarity 0.8523 NPC114171
High Similarity 0.8523 NPC6300
High Similarity 0.8523 NPC230124
High Similarity 0.8516 NPC316989

Drug Structure

External Identifiers

TTD  
DrugBank   DB09094
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  9000-55-9

Drug Properties

Molecular Weight  432.14
ALogP  -2.1096
MLogP  2.89
XLogP  0.868
HDA  4
HBD  3
Rotatable Bonds  12
TPSA  123.91
RO5 Violation  0