Natural Product: NPC473289

Natural Product ID:  NPC473289
Common Name:   n.a.
IUPAC Name:  
Synonyms:   4-Epiphyllanthine
Molecular Formula:   C13H15NO3
Standard InCHIKey:  XBTUEUZQDYSZCE-XZUYRWCXSA-N
Standard InCHI:  InChI=1S/C13H15NO3/c15-10-3-4-14-9-2-1-8-5-12(16)17-13(8,7-9)11(14)6-10/h1-2,5,9-11,15H,3-4,6-7H2/t9-,10+,11-,13+/m1/s1
Canonical SMILES:  O[C@H]1CCN2[C@H](C1)[C@]13OC(=O)C=C3C=C[C@@H]2C1
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
NPO19434.1 Securinega suffruticosa Under-species NA NA wood PMID[18052029]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 3 ug/ml 23394318
NPT137 Cell Line L1210 Mus musculus IC50 = 3.7 ug/ml 25286284

  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 NPC473289 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
0.9043 High Similarity NPC299808
0.9043 High Similarity NPC72183
0.9043 High Similarity NPC118844
0.9043 High Similarity NPC110875
0.8137 Intermediate Similarity NPC270813
0.8095 Intermediate Similarity NPC75523
0.8095 Intermediate Similarity NPC44514
0.8019 Intermediate Similarity NPC93179
0.7182 Intermediate Similarity NPC173690
0.7182 Intermediate Similarity NPC6271
0.7182 Intermediate Similarity NPC80439
0.7182 Intermediate Similarity NPC279833
0.7179 Intermediate Similarity NPC65045
0.7177 Intermediate Similarity NPC477988
0.7117 Intermediate Similarity NPC477001
0.7117 Intermediate Similarity NPC477000
0.7117 Intermediate Similarity NPC64168
0.6992 Remote Similarity NPC477987
0.6992 Remote Similarity NPC329401
0.6964 Remote Similarity NPC133420
0.6942 Remote Similarity NPC470000
0.6923 Remote Similarity NPC193471
0.6923 Remote Similarity NPC130124
0.6897 Remote Similarity NPC168758
0.6897 Remote Similarity NPC181510
0.6897 Remote Similarity NPC47857
0.6838 Remote Similarity NPC43648
0.6838 Remote Similarity NPC474995
0.6833 Remote Similarity NPC201889
0.6833 Remote Similarity NPC106791
0.6829 Remote Similarity NPC477990
0.6829 Remote Similarity NPC293550
0.6829 Remote Similarity NPC111162
0.6829 Remote Similarity NPC323168
0.6829 Remote Similarity NPC477989
0.6752 Remote Similarity NPC30911
0.6752 Remote Similarity NPC316984
0.6727 Remote Similarity NPC241426
0.6723 Remote Similarity NPC474984
0.6721 Remote Similarity NPC11379
0.6694 Remote Similarity NPC284656
0.6667 Remote Similarity NPC23963
0.664 Remote Similarity NPC471087
0.664 Remote Similarity NPC326386
0.664 Remote Similarity NPC477985
0.6637 Remote Similarity NPC474244
0.6612 Remote Similarity NPC469997
0.6577 Remote Similarity NPC52820
0.6557 Remote Similarity NPC235625
0.6552 Remote Similarity NPC271562
0.6535 Remote Similarity NPC96010
0.6535 Remote Similarity NPC317654
0.6531 Remote Similarity NPC470994
0.6529 Remote Similarity NPC28280
0.6529 Remote Similarity NPC304646
0.6525 Remote Similarity NPC122926
0.6525 Remote Similarity NPC113012
0.6522 Remote Similarity NPC469604
0.6504 Remote Similarity NPC138534
0.6504 Remote Similarity NPC477986
0.6496 Remote Similarity NPC287572
0.6496 Remote Similarity NPC471636
0.6484 Remote Similarity NPC471086
0.6471 Remote Similarity NPC29501
0.6462 Remote Similarity NPC120335
0.6441 Remote Similarity NPC474891
0.6429 Remote Similarity NPC476344
0.6429 Remote Similarity NPC4834
0.6423 Remote Similarity NPC174463
0.6415 Remote Similarity NPC469860
0.6415 Remote Similarity NPC130436
0.6415 Remote Similarity NPC469861
0.6404 Remote Similarity NPC100810
0.6404 Remote Similarity NPC144714
0.6396 Remote Similarity NPC150041
0.6381 Remote Similarity NPC475975
0.6364 Remote Similarity NPC475988
0.6356 Remote Similarity NPC474099
0.6339 Remote Similarity NPC175614
0.6333 Remote Similarity NPC58281
0.6325 Remote Similarity NPC135216
0.6325 Remote Similarity NPC101106
0.6325 Remote Similarity NPC472433
0.632 Remote Similarity NPC230849
0.6319 Remote Similarity NPC475342
0.6311 Remote Similarity NPC209232
0.6293 Remote Similarity NPC474827
0.6293 Remote Similarity NPC68001
0.6293 Remote Similarity NPC199831
0.6293 Remote Similarity NPC474828
0.6289 Remote Similarity NPC475004
0.6286 Remote Similarity NPC474809
0.6283 Remote Similarity NPC91036
0.6281 Remote Similarity NPC295444
0.6281 Remote Similarity NPC279383
0.6281 Remote Similarity NPC273215
0.6281 Remote Similarity NPC268327
0.6279 Remote Similarity NPC476951
0.6279 Remote Similarity NPC314282
0.6261 Remote Similarity NPC474873
0.6261 Remote Similarity NPC188785
0.625 Remote Similarity NPC469603
0.625 Remote Similarity NPC476261
0.625 Remote Similarity NPC471635
0.625 Remote Similarity NPC470382
0.625 Remote Similarity NPC119225
0.625 Remote Similarity NPC25033
0.625 Remote Similarity NPC469999
0.6231 Remote Similarity NPC474847
0.6231 Remote Similarity NPC478136
0.62 Remote Similarity NPC474280
0.6186 Remote Similarity NPC472856
0.6186 Remote Similarity NPC474823
0.6165 Remote Similarity NPC69496
0.6154 Remote Similarity NPC476560
0.6148 Remote Similarity NPC314550
0.6148 Remote Similarity NPC245836
0.6148 Remote Similarity NPC233910
0.6146 Remote Similarity NPC37382
0.6134 Remote Similarity NPC176773
0.6134 Remote Similarity NPC250187
0.6129 Remote Similarity NPC288629
0.6129 Remote Similarity NPC30196
0.6124 Remote Similarity NPC317474
0.6124 Remote Similarity NPC291027
0.6124 Remote Similarity NPC169485
0.6124 Remote Similarity NPC26285
0.6124 Remote Similarity NPC313333
0.6124 Remote Similarity NPC313342
0.6124 Remote Similarity NPC213126
0.6124 Remote Similarity NPC84281
0.6124 Remote Similarity NPC314451
0.6124 Remote Similarity NPC314512
0.6121 Remote Similarity NPC77703
0.6116 Remote Similarity NPC127578
0.6111 Remote Similarity NPC471261
0.6107 Remote Similarity NPC173173
0.6102 Remote Similarity NPC205176
0.6095 Remote Similarity NPC475944
0.6091 Remote Similarity NPC225283
0.609 Remote Similarity NPC316401
0.6083 Remote Similarity NPC474969
0.6083 Remote Similarity NPC476034
0.608 Remote Similarity NPC6531
0.6071 Remote Similarity NPC59646
0.6066 Remote Similarity NPC469455
0.6063 Remote Similarity NPC477143
0.6063 Remote Similarity NPC477140
0.6061 Remote Similarity NPC315387
0.6061 Remote Similarity NPC316205
0.6061 Remote Similarity NPC65310
0.6055 Remote Similarity NPC199382
0.6055 Remote Similarity NPC313658
0.6055 Remote Similarity NPC316138
0.605 Remote Similarity NPC86906
0.6047 Remote Similarity NPC318445
0.6047 Remote Similarity NPC316133
0.6047 Remote Similarity NPC314629
0.6045 Remote Similarity NPC133089
0.6036 Remote Similarity NPC280149
0.6036 Remote Similarity NPC3436
0.6036 Remote Similarity NPC221111
0.6036 Remote Similarity NPC310479
0.6036 Remote Similarity NPC182136
0.6032 Remote Similarity NPC471673
0.6032 Remote Similarity NPC476952
0.602 Remote Similarity NPC23721
0.6019 Remote Similarity NPC471795
0.6019 Remote Similarity NPC474278
0.6019 Remote Similarity NPC315394
0.6019 Remote Similarity NPC262747
0.6018 Remote Similarity NPC470521
0.6016 Remote Similarity NPC261750
0.6016 Remote Similarity NPC60432
0.6016 Remote Similarity NPC1111
0.6 Remote Similarity NPC477554
0.6 Remote Similarity NPC274293
0.6 Remote Similarity NPC172197
0.5984 Remote Similarity NPC63511
0.5982 Remote Similarity NPC145707
0.5982 Remote Similarity NPC175842
0.5982 Remote Similarity NPC32494
0.5982 Remote Similarity NPC470520
0.5981 Remote Similarity NPC472377
0.5981 Remote Similarity NPC44261
0.598 Remote Similarity NPC34672
0.5969 Remote Similarity NPC478138
0.5968 Remote Similarity NPC478137
0.5963 Remote Similarity NPC311163
0.5962 Remote Similarity NPC473695
0.5962 Remote Similarity NPC473446
0.5962 Remote Similarity NPC209135
0.5962 Remote Similarity NPC474816
0.5956 Remote Similarity NPC99864
0.5952 Remote Similarity NPC477553
0.595 Remote Similarity NPC470072
0.5948 Remote Similarity NPC203627
0.5948 Remote Similarity NPC91604
0.5948 Remote Similarity NPC315170
0.5948 Remote Similarity NPC65700

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473289 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
0.6752 Remote Similarity NPD2204 Approved
0.6328 Remote Similarity NPD8451 Approved
0.6325 Remote Similarity NPD4211 Phase 1
0.6279 Remote Similarity NPD8448 Approved
0.6202 Remote Similarity NPD8273 Phase 1
0.6195 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6165 Remote Similarity NPD2613 Approved
0.616 Remote Similarity NPD7641 Discontinued
0.6148 Remote Similarity NPD2566 Approved
0.6148 Remote Similarity NPD4746 Phase 3
0.6148 Remote Similarity NPD3087 Approved
0.6148 Remote Similarity NPD2570 Approved
0.6148 Remote Similarity NPD3616 Approved
0.6148 Remote Similarity NPD3090 Approved
0.6148 Remote Similarity NPD4745 Approved
0.6148 Remote Similarity NPD2574 Discontinued
0.6148 Remote Similarity NPD3614 Approved
0.6148 Remote Similarity NPD3089 Approved
0.6148 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6148 Remote Similarity NPD2573 Approved
0.6148 Remote Similarity NPD3088 Approved
0.6148 Remote Similarity NPD3615 Approved
0.6148 Remote Similarity NPD2571 Approved
0.6146 Remote Similarity NPD616 Clinical (unspecified phase)
0.6136 Remote Similarity NPD8392 Approved
0.6136 Remote Similarity NPD8391 Approved
0.6136 Remote Similarity NPD8390 Approved
0.6124 Remote Similarity NPD8341 Approved
0.6124 Remote Similarity NPD2611 Approved
0.6124 Remote Similarity NPD2610 Approved
0.6124 Remote Similarity NPD8299 Approved
0.6124 Remote Similarity NPD4218 Approved
0.6124 Remote Similarity NPD4215 Approved
0.6124 Remote Similarity NPD4216 Approved
0.6124 Remote Similarity NPD8342 Approved
0.6124 Remote Similarity NPD3131 Approved
0.6124 Remote Similarity NPD8340 Approved
0.6124 Remote Similarity NPD2612 Approved
0.6124 Remote Similarity NPD4217 Approved
0.6124 Remote Similarity NPD3132 Approved
0.6124 Remote Similarity NPD2608 Approved
0.6124 Remote Similarity NPD2609 Approved
0.6098 Remote Similarity NPD1376 Discontinued
0.608 Remote Similarity NPD7505 Discontinued
0.6061 Remote Similarity NPD2625 Approved
0.6061 Remote Similarity NPD2159 Approved
0.6061 Remote Similarity NPD2626 Approved
0.6061 Remote Similarity NPD2160 Approved
0.6061 Remote Similarity NPD2628 Approved
0.6061 Remote Similarity NPD2627 Approved
0.6058 Remote Similarity NPD4686 Approved
0.6058 Remote Similarity NPD4685 Phase 3
0.6058 Remote Similarity NPD4684 Phase 3
0.6056 Remote Similarity NPD2575 Approved
0.6047 Remote Similarity NPD7642 Approved
0.5985 Remote Similarity NPD6309 Approved
0.5985 Remote Similarity NPD6311 Approved
0.5985 Remote Similarity NPD6310 Approved
0.5956 Remote Similarity NPD8415 Approved
0.592 Remote Similarity NPD1000 Clinical (unspecified phase)
0.5887 Remote Similarity NPD4572 Approved
0.5887 Remote Similarity NPD4571 Approved
0.5887 Remote Similarity NPD4573 Approved
0.5868 Remote Similarity NPD810 Approved
0.5868 Remote Similarity NPD812 Approved
0.5868 Remote Similarity NPD811 Approved
0.5852 Remote Similarity NPD5204 Approved
0.5852 Remote Similarity NPD3664 Approved
0.5852 Remote Similarity NPD3661 Approved
0.5852 Remote Similarity NPD3663 Approved
0.5852 Remote Similarity NPD3662 Phase 3
0.5839 Remote Similarity NPD4619 Approved
0.5839 Remote Similarity NPD4621 Approved
0.5833 Remote Similarity NPD7488 Clinical (unspecified phase)
0.5827 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5812 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5809 Remote Similarity NPD5202 Clinical (unspecified phase)
0.5809 Remote Similarity NPD6845 Suspended
0.5806 Remote Similarity NPD2201 Approved
0.5802 Remote Similarity NPD7829 Approved
0.5802 Remote Similarity NPD7830 Approved
0.5797 Remote Similarity NPD8387 Clinical (unspecified phase)
0.578 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5766 Remote Similarity NPD5454 Clinical (unspecified phase)
0.5748 Remote Similarity NPD7754 Approved
0.5748 Remote Similarity NPD7755 Approved
0.5745 Remote Similarity NPD2567 Approved
0.5745 Remote Similarity NPD2569 Approved
0.5735 Remote Similarity NPD7260 Phase 2
0.5725 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5725 Remote Similarity NPD7623 Phase 3
0.5725 Remote Similarity NPD8080 Discontinued
0.5693 Remote Similarity NPD5201 Approved
0.5693 Remote Similarity NPD5203 Approved
0.5693 Remote Similarity NPD4620 Approved
0.5693 Remote Similarity NPD4617 Approved
0.5649 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5649 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5639 Remote Similarity NPD5338 Clinical (unspecified phase)
0.5615 Remote Similarity NPD7519 Approved
0.5615 Remote Similarity NPD7517 Approved
0.5615 Remote Similarity NPD7518 Approved
0.5614 Remote Similarity NPD7838 Discovery
0.5606 Remote Similarity NPD5723 Approved
0.56 Remote Similarity NPD550 Approved
0.56 Remote Similarity NPD551 Approved
0.56 Remote Similarity NPD6420 Discontinued

Structure

External Identifiers

PubChem CID   44445585
ChEMBL   CHEMBL398306
ZINC  

Physicochemical Properties

Molecular Weight:  233.11
ALogP:  -0.6498
MLogP:  2.45
XLogP:  -0.012
# Rotatable Bonds:  1
Polar Surface Area:  49.77
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  17

Download Data

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Similar NPs/Drugs