Natural Product: NPC473009

Natural Product ID:  NPC473009
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C39H40O10
Standard InCHIKey:  MBBVSWDIGPICDG-CMDBODPZSA-N
Standard InCHI:  InChI=1S/C39H40O10/c1-19(2)21(11-12-39(3,4)47)15-28-37-33(30(45)18-31(48-37)27-10-9-24(41)17-29(27)44)35(46)34-32(22-13-25(42)16-26(43)14-22)36(49-38(28)34)20-5-7-23(40)8-6-20/h5-10,13-14,16-17,21,31-32,36,40-44,46-47H,1,11-12,15,18H2,2-4H3/t21?,31-,32-,36+/m0/s1
Canonical SMILES:  Oc1ccc(cc1)[C@H]1Oc2c([C@@H]1c1cc(O)cc(c1)O)c(O)c1c(c2CC(C(=C)C)CCC(O)(C)C)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 = 32700 nM 25871261

  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 NPC473009 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
0.9935 High Similarity NPC473012
0.9935 High Similarity NPC473010
0.987 High Similarity NPC301256
0.987 High Similarity NPC312273
0.9554 High Similarity NPC473011
0.9548 High Similarity NPC1796
0.9548 High Similarity NPC257166
0.9497 High Similarity NPC251336
0.9487 High Similarity NPC15815
0.9487 High Similarity NPC51247
0.9481 High Similarity NPC121568
0.9427 High Similarity NPC42965
0.9427 High Similarity NPC98023
0.9427 High Similarity NPC226462
0.9427 High Similarity NPC195136
0.9427 High Similarity NPC121647
0.9423 High Similarity NPC475184
0.9419 High Similarity NPC37253
0.9419 High Similarity NPC79375
0.9383 High Similarity NPC477529
0.9363 High Similarity NPC105584
0.9359 High Similarity NPC32867
0.9359 High Similarity NPC69531
0.9351 High Similarity NPC178484
0.9299 High Similarity NPC323627
0.9299 High Similarity NPC324358
0.9299 High Similarity NPC287789
0.9299 High Similarity NPC322459
0.9299 High Similarity NPC208258
0.9299 High Similarity NPC318527
0.9299 High Similarity NPC271741
0.9295 High Similarity NPC182555
0.9295 High Similarity NPC134171
0.9295 High Similarity NPC66441
0.9295 High Similarity NPC300668
0.929 High Similarity NPC115601
0.929 High Similarity NPC78324
0.929 High Similarity NPC208011
0.929 High Similarity NPC39154
0.9245 High Similarity NPC137232
0.9245 High Similarity NPC18380
0.9241 High Similarity NPC51760
0.9241 High Similarity NPC295090
0.9236 High Similarity NPC61112
0.9236 High Similarity NPC198489
0.9221 High Similarity NPC3642
0.9198 High Similarity NPC253730
0.9198 High Similarity NPC286230
0.9187 High Similarity NPC15374
0.9182 High Similarity NPC292863
0.9182 High Similarity NPC184326
0.9172 High Similarity NPC258474
0.9172 High Similarity NPC186227
0.9172 High Similarity NPC215203
0.9172 High Similarity NPC52611
0.9172 High Similarity NPC150908
0.9172 High Similarity NPC159707
0.9172 High Similarity NPC158027
0.9172 High Similarity NPC14606
0.9172 High Similarity NPC100049
0.9172 High Similarity NPC265624
0.9172 High Similarity NPC205026
0.9172 High Similarity NPC201227
0.9172 High Similarity NPC121649
0.9172 High Similarity NPC248739
0.9167 High Similarity NPC43345
0.9167 High Similarity NPC174086
0.9161 High Similarity NPC472633
0.9156 High Similarity NPC122894
0.9136 High Similarity NPC171985
0.9136 High Similarity NPC82330
0.9136 High Similarity NPC320741
0.9136 High Similarity NPC224851
0.913 High Similarity NPC38591
0.9119 High Similarity NPC55443
0.9119 High Similarity NPC18699
0.9119 High Similarity NPC195167
0.9114 High Similarity NPC56049
0.9114 High Similarity NPC54830
0.9114 High Similarity NPC309648
0.9108 High Similarity NPC71061
0.9108 High Similarity NPC303485
0.9108 High Similarity NPC194593
0.9108 High Similarity NPC290830
0.9108 High Similarity NPC72425
0.9108 High Similarity NPC324447
0.9107 High Similarity NPC150977
0.9103 High Similarity NPC476551
0.9103 High Similarity NPC476553
0.9103 High Similarity NPC476552
0.9097 High Similarity NPC473016
0.9097 High Similarity NPC132345
0.9091 High Similarity NPC475348
0.9091 High Similarity NPC261271
0.9074 High Similarity NPC469664
0.9074 High Similarity NPC169471
0.9038 High Similarity NPC29777
0.9038 High Similarity NPC471115
0.9036 High Similarity NPC300657
0.9032 High Similarity NPC145467
0.9032 High Similarity NPC152233
0.9026 High Similarity NPC290133
0.9026 High Similarity NPC285630
0.9026 High Similarity NPC109183
0.9026 High Similarity NPC228779
0.9026 High Similarity NPC473078
0.9026 High Similarity NPC470134
0.9026 High Similarity NPC470131
0.9026 High Similarity NPC470133
0.9026 High Similarity NPC127059
0.9026 High Similarity NPC470132
0.9026 High Similarity NPC24136
0.9026 High Similarity NPC187282
0.9024 High Similarity NPC107627
0.9024 High Similarity NPC475212
0.9012 High Similarity NPC63438
0.9012 High Similarity NPC290160
0.9012 High Similarity NPC159508
0.9006 High Similarity NPC273467
0.9006 High Similarity NPC92589
0.9006 High Similarity NPC189552
0.9 High Similarity NPC123544
0.9 High Similarity NPC472617
0.8994 High Similarity NPC78492
0.8994 High Similarity NPC208152
0.8988 High Similarity NPC121888
0.8982 High Similarity NPC101991
0.8981 High Similarity NPC222713
0.8981 High Similarity NPC309512
0.8981 High Similarity NPC316960
0.8981 High Similarity NPC67322
0.8981 High Similarity NPC148945
0.8981 High Similarity NPC111112
0.8981 High Similarity NPC204561
0.8981 High Similarity NPC78835
0.8981 High Similarity NPC472636
0.8981 High Similarity NPC317715
0.8981 High Similarity NPC138299
0.8976 High Similarity NPC17105
0.8976 High Similarity NPC147363
0.8976 High Similarity NPC73899
0.8976 High Similarity NPC474276
0.897 High Similarity NPC102277
0.897 High Similarity NPC287884
0.897 High Similarity NPC8704
0.897 High Similarity NPC279209
0.8968 High Similarity NPC296998
0.8968 High Similarity NPC308200
0.8968 High Similarity NPC283234
0.8968 High Similarity NPC473077
0.8961 High Similarity NPC131579
0.8961 High Similarity NPC470136
0.8961 High Similarity NPC473014
0.8961 High Similarity NPC39045
0.8961 High Similarity NPC271288
0.8961 High Similarity NPC282957
0.8961 High Similarity NPC470135
0.8961 High Similarity NPC235217
0.8961 High Similarity NPC131568
0.8961 High Similarity NPC194949
0.8957 High Similarity NPC477840
0.8951 High Similarity NPC261896
0.8951 High Similarity NPC310603
0.8947 High Similarity NPC139683
0.8947 High Similarity NPC73929
0.8947 High Similarity NPC47905
0.8944 High Similarity NPC312993
0.8944 High Similarity NPC186325
0.8938 High Similarity NPC281137
0.8938 High Similarity NPC65504
0.8938 High Similarity NPC282390
0.8938 High Similarity NPC196448
0.8931 High Similarity NPC254351
0.8924 High Similarity NPC473996
0.8924 High Similarity NPC477957
0.8917 High Similarity NPC476509
0.8917 High Similarity NPC476185
0.8917 High Similarity NPC321896
0.8916 High Similarity NPC186847
0.8916 High Similarity NPC257667
0.8916 High Similarity NPC472454
0.891 High Similarity NPC35150
0.891 High Similarity NPC168085
0.891 High Similarity NPC39195
0.891 High Similarity NPC160821
0.891 High Similarity NPC132592
0.891 High Similarity NPC106328
0.891 High Similarity NPC161191
0.8909 High Similarity NPC53252
0.8909 High Similarity NPC300307
0.8903 High Similarity NPC472629
0.8903 High Similarity NPC246948
0.8903 High Similarity NPC267375
0.8903 High Similarity NPC83357
0.8903 High Similarity NPC20488
0.8903 High Similarity NPC142405
0.8903 High Similarity NPC111786
0.8903 High Similarity NPC475052
0.8903 High Similarity NPC214774
0.8903 High Similarity NPC301276

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473009 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
0.9295 High Similarity NPD8443 Clinical (unspecified phase)
0.9125 High Similarity NPD6959 Discontinued
0.8841 High Similarity NPD7852 Clinical (unspecified phase)
0.875 High Similarity NPD7819 Suspended
0.875 High Similarity NPD2393 Clinical (unspecified phase)
0.8718 High Similarity NPD7410 Clinical (unspecified phase)
0.8642 High Similarity NPD7768 Phase 2
0.8625 High Similarity NPD7411 Suspended
0.8614 High Similarity NPD6166 Phase 2
0.8614 High Similarity NPD6168 Clinical (unspecified phase)
0.8614 High Similarity NPD6167 Clinical (unspecified phase)
0.8599 High Similarity NPD4378 Clinical (unspecified phase)
0.8562 High Similarity NPD4380 Phase 2
0.8506 High Similarity NPD1552 Clinical (unspecified phase)
0.8506 High Similarity NPD1550 Clinical (unspecified phase)
0.8485 Intermediate Similarity NPD5494 Approved
0.8476 Intermediate Similarity NPD7075 Discontinued
0.8462 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8457 Intermediate Similarity NPD1934 Approved
0.8452 Intermediate Similarity NPD1549 Phase 2
0.8364 Intermediate Similarity NPD3749 Approved
0.8304 Intermediate Similarity NPD7074 Phase 3
0.8293 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8253 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8246 Intermediate Similarity NPD7054 Approved
0.8235 Intermediate Similarity NPD7473 Discontinued
0.8208 Intermediate Similarity NPD6559 Discontinued
0.8205 Intermediate Similarity NPD2796 Approved
0.8198 Intermediate Similarity NPD7472 Approved
0.8193 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD7390 Discontinued
0.8161 Intermediate Similarity NPD7808 Phase 3
0.815 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8141 Intermediate Similarity NPD1510 Phase 2
0.8114 Intermediate Similarity NPD8313 Approved
0.8114 Intermediate Similarity NPD8312 Approved
0.8103 Intermediate Similarity NPD7251 Discontinued
0.8084 Intermediate Similarity NPD3882 Suspended
0.8081 Intermediate Similarity NPD3818 Discontinued
0.8075 Intermediate Similarity NPD1511 Approved
0.8072 Intermediate Similarity NPD2801 Approved
0.8059 Intermediate Similarity NPD6232 Discontinued
0.805 Intermediate Similarity NPD2800 Approved
0.8046 Intermediate Similarity NPD6797 Phase 2
0.8035 Intermediate Similarity NPD5844 Phase 1
0.8025 Intermediate Similarity NPD2532 Approved
0.8025 Intermediate Similarity NPD2534 Approved
0.8025 Intermediate Similarity NPD2533 Approved
0.8012 Intermediate Similarity NPD6801 Discontinued
0.8 Intermediate Similarity NPD1240 Approved
0.8 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD1512 Approved
0.7937 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD3817 Phase 2
0.7898 Intermediate Similarity NPD1607 Approved
0.7875 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD6099 Approved
0.7862 Intermediate Similarity NPD6100 Approved
0.7857 Intermediate Similarity NPD4908 Phase 1
0.7853 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.779 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD6651 Approved
0.7778 Intermediate Similarity NPD3750 Approved
0.7753 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD8455 Phase 2
0.775 Intermediate Similarity NPD2935 Discontinued
0.7746 Intermediate Similarity NPD7229 Phase 3
0.7744 Intermediate Similarity NPD6799 Approved
0.7725 Intermediate Similarity NPD3226 Approved
0.7711 Intermediate Similarity NPD920 Approved
0.7706 Intermediate Similarity NPD5402 Approved
0.7702 Intermediate Similarity NPD2344 Approved
0.7679 Intermediate Similarity NPD6599 Discontinued
0.7669 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD7870 Phase 2
0.7632 Intermediate Similarity NPD7871 Phase 2
0.7624 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD4363 Phase 3
0.7622 Intermediate Similarity NPD4360 Phase 2
0.7619 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD1243 Approved
0.7605 Intermediate Similarity NPD5403 Approved
0.76 Intermediate Similarity NPD3926 Phase 2
0.759 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD8150 Discontinued
0.7579 Intermediate Similarity NPD7698 Approved
0.7579 Intermediate Similarity NPD7697 Approved
0.7579 Intermediate Similarity NPD7696 Phase 3
0.7578 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD2799 Discontinued
0.7576 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7565 Intermediate Similarity NPD8151 Discontinued
0.7543 Intermediate Similarity NPD5710 Approved
0.7543 Intermediate Similarity NPD5711 Approved
0.7543 Intermediate Similarity NPD3787 Discontinued
0.7542 Intermediate Similarity NPD5953 Discontinued
0.754 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD1551 Phase 2
0.7528 Intermediate Similarity NPD7286 Phase 2
0.7515 Intermediate Similarity NPD7458 Discontinued
0.7515 Intermediate Similarity NPD2309 Approved
0.7513 Intermediate Similarity NPD6782 Approved
0.7513 Intermediate Similarity NPD6777 Approved
0.7513 Intermediate Similarity NPD6779 Approved
0.7513 Intermediate Similarity NPD6778 Approved
0.7513 Intermediate Similarity NPD6776 Approved
0.7513 Intermediate Similarity NPD6780 Approved
0.7513 Intermediate Similarity NPD6781 Approved
0.75 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD7783 Phase 2
0.7487 Intermediate Similarity NPD7435 Discontinued
0.7486 Intermediate Similarity NPD8434 Phase 2
0.7486 Intermediate Similarity NPD7199 Phase 2
0.7486 Intermediate Similarity NPD1247 Approved
0.7485 Intermediate Similarity NPD5401 Approved
0.7485 Intermediate Similarity NPD2346 Discontinued
0.7472 Intermediate Similarity NPD7228 Approved
0.7472 Intermediate Similarity NPD3751 Discontinued
0.7471 Intermediate Similarity NPD919 Approved
0.7469 Intermediate Similarity NPD3748 Approved
0.7442 Intermediate Similarity NPD1465 Phase 2
0.7442 Intermediate Similarity NPD5760 Phase 2
0.7442 Intermediate Similarity NPD5761 Phase 2
0.7427 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD7701 Phase 2
0.7423 Intermediate Similarity NPD5406 Approved
0.7423 Intermediate Similarity NPD5408 Approved
0.7423 Intermediate Similarity NPD5404 Approved
0.7423 Intermediate Similarity NPD5405 Approved
0.7405 Intermediate Similarity NPD4287 Approved
0.7403 Intermediate Similarity NPD1610 Phase 2
0.7401 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD7801 Approved
0.7394 Intermediate Similarity NPD4361 Phase 2
0.7394 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5124 Phase 1
0.7391 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD37 Approved
0.7381 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD6234 Discontinued
0.7362 Intermediate Similarity NPD7033 Discontinued
0.7358 Intermediate Similarity NPD4625 Phase 3
0.7356 Intermediate Similarity NPD4965 Approved
0.7356 Intermediate Similarity NPD4966 Approved
0.7356 Intermediate Similarity NPD4967 Phase 2
0.7349 Intermediate Similarity NPD4628 Phase 3
0.7349 Intermediate Similarity NPD7003 Approved
0.7347 Intermediate Similarity NPD7874 Approved
0.7347 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD6823 Phase 2
0.7342 Intermediate Similarity NPD2861 Phase 2
0.7337 Intermediate Similarity NPD6273 Approved
0.733 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7316 Intermediate Similarity NPD7699 Phase 2
0.7316 Intermediate Similarity NPD7700 Phase 2
0.7312 Intermediate Similarity NPD2313 Discontinued
0.7312 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD6832 Phase 2
0.729 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD7584 Approved
0.7278 Intermediate Similarity NPD7177 Discontinued
0.7278 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD8319 Approved
0.7268 Intermediate Similarity NPD8320 Phase 1
0.7249 Intermediate Similarity NPD6534 Approved
0.7249 Intermediate Similarity NPD6535 Approved
0.7246 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1613 Approved
0.7222 Intermediate Similarity NPD943 Approved
0.7222 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD7685 Pre-registration
0.7205 Intermediate Similarity NPD3268 Approved
0.7205 Intermediate Similarity NPD3764 Approved
0.7197 Intermediate Similarity NPD4749 Approved
0.7195 Intermediate Similarity NPD7097 Phase 1
0.7191 Intermediate Similarity NPD8127 Discontinued
0.7184 Intermediate Similarity NPD7577 Discontinued
0.7184 Intermediate Similarity NPD6844 Discontinued
0.717 Intermediate Similarity NPD2798 Approved
0.7134 Intermediate Similarity NPD1608 Approved
0.712 Intermediate Similarity NPD7240 Approved
0.7107 Intermediate Similarity NPD2797 Approved
0.7107 Intermediate Similarity NPD1203 Approved
0.7104 Intermediate Similarity NPD1729 Discontinued
0.7098 Intermediate Similarity NPD8285 Discontinued
0.7083 Intermediate Similarity NPD2654 Approved
0.7081 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD7447 Phase 1
0.7073 Intermediate Similarity NPD6355 Discontinued
0.7073 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD2403 Approved
0.707 Intermediate Similarity NPD1201 Approved
0.7066 Intermediate Similarity NPD6004 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3600402
ZINC  

Physicochemical Properties

Molecular Weight:  668.26
ALogP:  -1.7167
MLogP:  4.65
XLogP:  4.131
# Rotatable Bonds:  19
Polar Surface Area:  177.14
# H-Bond Aceptor:  2
# H-Bond Donor:  7
# Rings:  6
# Heavy Atoms:  49

Download Data

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