Natural Product: NPC473011

Natural Product ID:  NPC473011
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H21FO9
Standard InCHIKey:  QINVJYDCNGLLNA-LOYIFYEOSA-N
Standard InCHI:  InChI=1S/C29H21FO9/c30-25-28-23(20(36)11-21(38-28)18-6-5-15(32)10-19(18)35)26(37)24-22(13-7-16(33)9-17(34)8-13)27(39-29(24)25)12-1-3-14(31)4-2-12/h1-10,21-22,27,31-35,37H,11H2/t21-,22-,27+/m1/s1
Canonical SMILES:  Oc1ccc(cc1)[C@@H]1Oc2c([C@H]1c1cc(O)cc(c1)O)c(O)c1c(c2F)O[C@H](CC1=O)c1ccc(cc1O)O
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
NPO20471 Sophora alopecuroides Species Fabaceae Eukaryota Root barks Mongolia PMID[26073007]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 50000 nM 19203247

  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 NPC473011 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
0.9677 High Similarity NPC312273
0.9677 High Similarity NPC301256
0.9615 High Similarity NPC473012
0.9554 High Similarity NPC473009
0.9494 High Similarity NPC473010
0.9419 High Similarity NPC32867
0.9419 High Similarity NPC69531
0.9359 High Similarity NPC475184
0.9355 High Similarity NPC134171
0.9355 High Similarity NPC182555
0.9355 High Similarity NPC300668
0.9355 High Similarity NPC66441
0.9299 High Similarity NPC295090
0.929 High Similarity NPC121568
0.9241 High Similarity NPC184326
0.9241 High Similarity NPC292863
0.9236 High Similarity NPC1796
0.9236 High Similarity NPC257166
0.9231 High Similarity NPC201227
0.9231 High Similarity NPC258474
0.9226 High Similarity NPC174086
0.9216 High Similarity NPC122894
0.9193 High Similarity NPC171985
0.9193 High Similarity NPC320741
0.9193 High Similarity NPC251336
0.9193 High Similarity NPC224851
0.9187 High Similarity NPC38591
0.9182 High Similarity NPC137232
0.9182 High Similarity NPC18380
0.9177 High Similarity NPC105584
0.9177 High Similarity NPC51760
0.9177 High Similarity NPC51247
0.9177 High Similarity NPC15815
0.9177 High Similarity NPC195167
0.9172 High Similarity NPC309648
0.9172 High Similarity NPC61112
0.9172 High Similarity NPC198489
0.9156 High Similarity NPC3642
0.9125 High Similarity NPC15374
0.9119 High Similarity NPC226462
0.9119 High Similarity NPC195136
0.9119 High Similarity NPC42965
0.9119 High Similarity NPC98023
0.9114 High Similarity NPC271741
0.9114 High Similarity NPC322459
0.9114 High Similarity NPC323627
0.9114 High Similarity NPC324358
0.9114 High Similarity NPC287789
0.9114 High Similarity NPC318527
0.9108 High Similarity NPC37253
0.9108 High Similarity NPC79375
0.9103 High Similarity NPC208011
0.9103 High Similarity NPC39154
0.9103 High Similarity NPC78324
0.9103 High Similarity NPC115601
0.908 High Similarity NPC107627
0.9074 High Similarity NPC82330
0.9068 High Similarity NPC290160
0.9068 High Similarity NPC63438
0.9057 High Similarity NPC123544
0.9045 High Similarity NPC71061
0.9045 High Similarity NPC303485
0.9045 High Similarity NPC290830
0.9045 High Similarity NPC72425
0.9045 High Similarity NPC194593
0.9038 High Similarity NPC309512
0.9038 High Similarity NPC204561
0.9038 High Similarity NPC67322
0.9038 High Similarity NPC317715
0.9038 High Similarity NPC138299
0.9038 High Similarity NPC222713
0.9038 High Similarity NPC178484
0.9038 High Similarity NPC148945
0.9038 High Similarity NPC78835
0.9038 High Similarity NPC111112
0.9038 High Similarity NPC316960
0.902 High Similarity NPC470136
0.902 High Similarity NPC470135
0.902 High Similarity NPC39045
0.9 High Similarity NPC121647
0.8994 High Similarity NPC208258
0.8987 High Similarity NPC14606
0.8987 High Similarity NPC215203
0.8987 High Similarity NPC52611
0.8987 High Similarity NPC265624
0.8987 High Similarity NPC186227
0.8987 High Similarity NPC254351
0.8987 High Similarity NPC158027
0.8987 High Similarity NPC159707
0.8987 High Similarity NPC205026
0.8987 High Similarity NPC100049
0.8987 High Similarity NPC150908
0.8987 High Similarity NPC121649
0.8987 High Similarity NPC248739
0.8976 High Similarity NPC300657
0.8974 High Similarity NPC472633
0.897 High Similarity NPC477529
0.897 High Similarity NPC257667
0.897 High Similarity NPC472454
0.897 High Similarity NPC186847
0.8968 High Similarity NPC106328
0.8968 High Similarity NPC35150
0.8963 High Similarity NPC53252
0.8961 High Similarity NPC470134
0.8961 High Similarity NPC24136
0.8961 High Similarity NPC470132
0.8961 High Similarity NPC473078
0.8961 High Similarity NPC290133
0.8961 High Similarity NPC228779
0.8961 High Similarity NPC187282
0.8961 High Similarity NPC470133
0.8961 High Similarity NPC470131
0.8961 High Similarity NPC109183
0.8938 High Similarity NPC18699
0.8938 High Similarity NPC55443
0.8931 High Similarity NPC208152
0.8931 High Similarity NPC78492
0.891 High Similarity NPC291746
0.891 High Similarity NPC132345
0.891 High Similarity NPC473016
0.891 High Similarity NPC288840
0.8909 High Similarity NPC287884
0.8909 High Similarity NPC279209
0.8909 High Similarity NPC8704
0.8909 High Similarity NPC102277
0.8903 High Similarity NPC308200
0.8902 High Similarity NPC286230
0.8902 High Similarity NPC253730
0.8896 High Similarity NPC169471
0.8896 High Similarity NPC271288
0.8896 High Similarity NPC469664
0.8896 High Similarity NPC474591
0.8889 High Similarity NPC477841
0.8889 High Similarity NPC261896
0.8889 High Similarity NPC219927
0.8889 High Similarity NPC310603
0.8882 High Similarity NPC186325
0.8861 High Similarity NPC43345
0.8854 High Similarity NPC471115
0.8854 High Similarity NPC29777
0.8854 High Similarity NPC321896
0.8854 High Similarity NPC476185
0.8848 High Similarity NPC475212
0.8848 High Similarity NPC300307
0.8846 High Similarity NPC145467
0.8846 High Similarity NPC168085
0.8846 High Similarity NPC39195
0.8839 High Similarity NPC73320
0.8839 High Similarity NPC472629
0.8834 High Similarity NPC159508
0.8831 High Similarity NPC125894
0.8831 High Similarity NPC85162
0.8831 High Similarity NPC107177
0.8831 High Similarity NPC278249
0.8831 High Similarity NPC77794
0.8831 High Similarity NPC223812
0.8831 High Similarity NPC81697
0.8827 High Similarity NPC142252
0.8827 High Similarity NPC92589
0.8827 High Similarity NPC189552
0.8827 High Similarity NPC97812
0.8827 High Similarity NPC273467
0.882 High Similarity NPC40583
0.882 High Similarity NPC177650
0.8812 High Similarity NPC137100
0.8812 High Similarity NPC54830
0.8812 High Similarity NPC56049
0.8805 High Similarity NPC324447
0.8805 High Similarity NPC244250
0.8805 High Similarity NPC1477
0.8805 High Similarity NPC109594
0.8805 High Similarity NPC112701
0.8805 High Similarity NPC326592
0.8805 High Similarity NPC213608
0.8805 High Similarity NPC20907
0.8797 High Similarity NPC477897
0.8797 High Similarity NPC472636
0.8797 High Similarity NPC289774
0.8797 High Similarity NPC209846
0.8797 High Similarity NPC328740
0.8797 High Similarity NPC476552
0.8797 High Similarity NPC476551
0.8797 High Similarity NPC476553
0.879 High Similarity NPC317492
0.879 High Similarity NPC471114
0.8782 High Similarity NPC473077
0.8782 High Similarity NPC475348
0.8782 High Similarity NPC300988
0.8782 High Similarity NPC261271
0.8782 High Similarity NPC296998
0.8782 High Similarity NPC10990
0.878 High Similarity NPC477840
0.8774 High Similarity NPC131568
0.8774 High Similarity NPC473014
0.8774 High Similarity NPC311144
0.8774 High Similarity NPC473015
0.8774 High Similarity NPC235217
0.8774 High Similarity NPC470890
0.8774 High Similarity NPC87486
0.8774 High Similarity NPC473013

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473011 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
0.9062 High Similarity NPD6959 Discontinued
0.9012 High Similarity NPD7852 Clinical (unspecified phase)
0.8987 High Similarity NPD8443 Clinical (unspecified phase)
0.8696 High Similarity NPD7768 Phase 2
0.8688 High Similarity NPD2393 Clinical (unspecified phase)
0.8616 High Similarity NPD4380 Phase 2
0.8562 High Similarity NPD1550 Clinical (unspecified phase)
0.8562 High Similarity NPD1552 Clinical (unspecified phase)
0.8562 High Similarity NPD7411 Suspended
0.8554 High Similarity NPD6168 Clinical (unspecified phase)
0.8554 High Similarity NPD6167 Clinical (unspecified phase)
0.8554 High Similarity NPD6166 Phase 2
0.8535 High Similarity NPD7410 Clinical (unspecified phase)
0.8535 High Similarity NPD4378 Clinical (unspecified phase)
0.8506 High Similarity NPD1549 Phase 2
0.8457 Intermediate Similarity NPD7819 Suspended
0.8424 Intermediate Similarity NPD5494 Approved
0.8395 Intermediate Similarity NPD1934 Approved
0.8303 Intermediate Similarity NPD3749 Approved
0.8303 Intermediate Similarity NPD7075 Discontinued
0.8303 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8242 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD1510 Phase 2
0.8187 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.815 Intermediate Similarity NPD6559 Discontinued
0.8141 Intermediate Similarity NPD2796 Approved
0.814 Intermediate Similarity NPD7074 Phase 3
0.8129 Intermediate Similarity NPD3818 Discontinued
0.8125 Intermediate Similarity NPD7390 Discontinued
0.8125 Intermediate Similarity NPD1511 Approved
0.8121 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD7054 Approved
0.807 Intermediate Similarity NPD7473 Discontinued
0.8035 Intermediate Similarity NPD7472 Approved
0.8025 Intermediate Similarity NPD1512 Approved
0.8024 Intermediate Similarity NPD3882 Suspended
0.8012 Intermediate Similarity NPD2801 Approved
0.8 Intermediate Similarity NPD6232 Discontinued
0.7989 Intermediate Similarity NPD6797 Phase 2
0.7987 Intermediate Similarity NPD2800 Approved
0.7977 Intermediate Similarity NPD5844 Phase 1
0.7963 Intermediate Similarity NPD2533 Approved
0.7963 Intermediate Similarity NPD2532 Approved
0.7963 Intermediate Similarity NPD2534 Approved
0.7955 Intermediate Similarity NPD8312 Approved
0.7955 Intermediate Similarity NPD8313 Approved
0.7952 Intermediate Similarity NPD6801 Discontinued
0.7943 Intermediate Similarity NPD7251 Discontinued
0.7935 Intermediate Similarity NPD1240 Approved
0.7922 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD7808 Phase 3
0.7879 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7875 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD3817 Phase 2
0.7853 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7845 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD1607 Approved
0.7826 Intermediate Similarity NPD3750 Approved
0.7812 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD4908 Phase 1
0.7751 Intermediate Similarity NPD5402 Approved
0.7688 Intermediate Similarity NPD2935 Discontinued
0.7683 Intermediate Similarity NPD6799 Approved
0.7665 Intermediate Similarity NPD3226 Approved
0.7651 Intermediate Similarity NPD920 Approved
0.7651 Intermediate Similarity NPD5403 Approved
0.764 Intermediate Similarity NPD2344 Approved
0.7636 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD6599 Discontinued
0.761 Intermediate Similarity NPD6651 Approved
0.7588 Intermediate Similarity NPD8455 Phase 2
0.7586 Intermediate Similarity NPD7229 Phase 3
0.7578 Intermediate Similarity NPD1551 Phase 2
0.7578 Intermediate Similarity NPD6100 Approved
0.7578 Intermediate Similarity NPD6099 Approved
0.7568 Intermediate Similarity NPD4360 Phase 2
0.7568 Intermediate Similarity NPD4363 Phase 3
0.7546 Intermediate Similarity NPD1243 Approved
0.7543 Intermediate Similarity NPD3926 Phase 2
0.7541 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD5401 Approved
0.7516 Intermediate Similarity NPD7033 Discontinued
0.7516 Intermediate Similarity NPD3748 Approved
0.7516 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD2799 Discontinued
0.7487 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD5711 Approved
0.7486 Intermediate Similarity NPD5710 Approved
0.7486 Intermediate Similarity NPD5953 Discontinued
0.7486 Intermediate Similarity NPD3787 Discontinued
0.7485 Intermediate Similarity NPD1465 Phase 2
0.7469 Intermediate Similarity NPD5405 Approved
0.7469 Intermediate Similarity NPD5408 Approved
0.7469 Intermediate Similarity NPD5406 Approved
0.7469 Intermediate Similarity NPD5404 Approved
0.7468 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD2309 Approved
0.7451 Intermediate Similarity NPD1610 Phase 2
0.744 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7435 Intermediate Similarity NPD7435 Discontinued
0.7429 Intermediate Similarity NPD1247 Approved
0.7429 Intermediate Similarity NPD7199 Phase 2
0.7423 Intermediate Similarity NPD2346 Discontinued
0.7416 Intermediate Similarity NPD3751 Discontinued
0.7414 Intermediate Similarity NPD919 Approved
0.7394 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD2861 Phase 2
0.7374 Intermediate Similarity NPD7286 Phase 2
0.7368 Intermediate Similarity NPD6779 Approved
0.7368 Intermediate Similarity NPD6780 Approved
0.7368 Intermediate Similarity NPD6776 Approved
0.7368 Intermediate Similarity NPD6778 Approved
0.7368 Intermediate Similarity NPD6777 Approved
0.7368 Intermediate Similarity NPD6781 Approved
0.7368 Intermediate Similarity NPD6782 Approved
0.7358 Intermediate Similarity NPD2313 Discontinued
0.7353 Intermediate Similarity NPD7458 Discontinued
0.7351 Intermediate Similarity NPD4287 Approved
0.7345 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD4361 Phase 2
0.7338 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD8151 Discontinued
0.7326 Intermediate Similarity NPD37 Approved
0.7321 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD7228 Approved
0.7314 Intermediate Similarity NPD6234 Discontinued
0.7306 Intermediate Similarity NPD7871 Phase 2
0.7306 Intermediate Similarity NPD7870 Phase 2
0.7299 Intermediate Similarity NPD4967 Phase 2
0.7299 Intermediate Similarity NPD4965 Approved
0.7299 Intermediate Similarity NPD4966 Approved
0.7289 Intermediate Similarity NPD4628 Phase 3
0.7289 Intermediate Similarity NPD7003 Approved
0.7283 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD6273 Approved
0.7267 Intermediate Similarity NPD1613 Approved
0.7267 Intermediate Similarity NPD943 Approved
0.7267 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD7698 Approved
0.7254 Intermediate Similarity NPD7696 Phase 3
0.7254 Intermediate Similarity NPD7697 Approved
0.7243 Intermediate Similarity NPD8150 Discontinued
0.7225 Intermediate Similarity NPD7577 Discontinued
0.7222 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5124 Phase 1
0.7222 Intermediate Similarity NPD7177 Discontinued
0.7212 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD7874 Approved
0.7208 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD4625 Phase 3
0.7186 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD5761 Phase 2
0.7184 Intermediate Similarity NPD5760 Phase 2
0.7172 Intermediate Similarity NPD7783 Phase 2
0.7172 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1203 Approved
0.7151 Intermediate Similarity NPD8434 Phase 2
0.7143 Intermediate Similarity NPD3764 Approved
0.7143 Intermediate Similarity NPD3268 Approved
0.7125 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD6832 Phase 2
0.7115 Intermediate Similarity NPD1201 Approved
0.7113 Intermediate Similarity NPD6823 Phase 2
0.7107 Intermediate Similarity NPD2798 Approved
0.7107 Intermediate Similarity NPD7701 Phase 2
0.7105 Intermediate Similarity NPD6534 Approved
0.7105 Intermediate Similarity NPD6535 Approved
0.7085 Intermediate Similarity NPD7801 Approved
0.7078 Intermediate Similarity NPD1548 Phase 1
0.707 Intermediate Similarity NPD1608 Approved
0.7063 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7584 Approved
0.7049 Intermediate Similarity NPD1729 Discontinued
0.7044 Intermediate Similarity NPD1470 Approved
0.7044 Intermediate Similarity NPD1164 Approved
0.7044 Intermediate Similarity NPD2797 Approved
0.7037 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD6844 Discontinued
0.7027 Intermediate Similarity NPD7549 Discontinued
0.7025 Intermediate Similarity NPD4749 Approved
0.7024 Intermediate Similarity NPD2654 Approved
0.7012 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6002 Phase 3
0.7006 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6005 Phase 3
0.7006 Intermediate Similarity NPD6004 Phase 3
0.6995 Remote Similarity NPD7700 Phase 2
0.6995 Remote Similarity NPD7699 Phase 2
0.6988 Remote Similarity NPD4308 Phase 3
0.6983 Remote Similarity NPD6746 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3600404
ZINC  

Physicochemical Properties

Molecular Weight:  532.12
ALogP:  -3.051
MLogP:  3.55
XLogP:  1.821
# Rotatable Bonds:  10
Polar Surface Area:  156.91
# H-Bond Aceptor:  1
# H-Bond Donor:  6
# Rings:  6
# Heavy Atoms:  39

Download Data

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