Natural Product: NPC312273

Natural Product ID:  NPC312273
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H30O8
Standard InCHIKey:  OEYSIPNWFNKKRF-ALKXEMMNSA-N
Standard InCHI:  InChI=1S/C34H30O8/c1-17(2)3-12-25-33-29(26(39)16-27(41-33)18-4-8-21(35)9-5-18)31(40)30-28(20-13-23(37)15-24(38)14-20)32(42-34(25)30)19-6-10-22(36)11-7-19/h3-11,13-15,27-28,32,35-38,40H,12,16H2,1-2H3/t27-,28-,32+/m0/s1
Canonical SMILES:  CC(=CCc1c2O[C@@H](CC(=O)c2c(c2c1O[C@@H]([C@H]2c1cc(O)cc(c1)O)c1ccc(cc1)O)O)c1ccc(cc1)O)C
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 = 19000 nM 21868221

  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 NPC312273 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
1.0 High Similarity NPC301256
0.9935 High Similarity NPC473012
0.987 High Similarity NPC473009
0.9806 High Similarity NPC473010
0.9677 High Similarity NPC473011
0.9545 High Similarity NPC1796
0.9545 High Similarity NPC475184
0.9545 High Similarity NPC257166
0.9494 High Similarity NPC251336
0.9484 High Similarity NPC15815
0.9484 High Similarity NPC105584
0.9484 High Similarity NPC51247
0.9481 High Similarity NPC69531
0.9481 High Similarity NPC32867
0.9477 High Similarity NPC121568
0.9423 High Similarity NPC98023
0.9423 High Similarity NPC195136
0.9423 High Similarity NPC42965
0.9423 High Similarity NPC226462
0.9419 High Similarity NPC271741
0.9419 High Similarity NPC287789
0.9416 High Similarity NPC37253
0.9416 High Similarity NPC79375
0.9416 High Similarity NPC134171
0.9416 High Similarity NPC300668
0.9416 High Similarity NPC182555
0.9416 High Similarity NPC66441
0.9363 High Similarity NPC18380
0.9359 High Similarity NPC295090
0.9359 High Similarity NPC51760
0.9355 High Similarity NPC61112
0.9355 High Similarity NPC198489
0.9346 High Similarity NPC178484
0.9342 High Similarity NPC3642
0.9304 High Similarity NPC15374
0.9299 High Similarity NPC121647
0.9299 High Similarity NPC292863
0.9299 High Similarity NPC184326
0.9295 High Similarity NPC323627
0.9295 High Similarity NPC324358
0.9295 High Similarity NPC322459
0.9295 High Similarity NPC208258
0.9295 High Similarity NPC318527
0.929 High Similarity NPC205026
0.929 High Similarity NPC100049
0.929 High Similarity NPC14606
0.929 High Similarity NPC158027
0.929 High Similarity NPC52611
0.929 High Similarity NPC186227
0.929 High Similarity NPC159707
0.929 High Similarity NPC258474
0.929 High Similarity NPC248739
0.929 High Similarity NPC201227
0.929 High Similarity NPC215203
0.929 High Similarity NPC265624
0.929 High Similarity NPC150908
0.929 High Similarity NPC121649
0.9286 High Similarity NPC115601
0.9286 High Similarity NPC78324
0.9286 High Similarity NPC39154
0.9286 High Similarity NPC174086
0.9286 High Similarity NPC208011
0.9276 High Similarity NPC122894
0.9259 High Similarity NPC477529
0.925 High Similarity NPC224851
0.925 High Similarity NPC320741
0.925 High Similarity NPC171985
0.9245 High Similarity NPC38591
0.9241 High Similarity NPC137232
0.9236 High Similarity NPC195167
0.9236 High Similarity NPC55443
0.9236 High Similarity NPC18699
0.9231 High Similarity NPC309648
0.9226 High Similarity NPC290830
0.9226 High Similarity NPC71061
0.9226 High Similarity NPC194593
0.9226 High Similarity NPC303485
0.9226 High Similarity NPC72425
0.9193 High Similarity NPC253730
0.9193 High Similarity NPC286230
0.9187 High Similarity NPC169471
0.9187 High Similarity NPC469664
0.9161 High Similarity NPC43345
0.9156 High Similarity NPC472633
0.9146 High Similarity NPC300657
0.9145 High Similarity NPC290133
0.9145 High Similarity NPC470131
0.9145 High Similarity NPC24136
0.9145 High Similarity NPC473078
0.9145 High Similarity NPC109183
0.9145 High Similarity NPC228779
0.9145 High Similarity NPC470132
0.9145 High Similarity NPC187282
0.9145 High Similarity NPC470134
0.9145 High Similarity NPC470133
0.9136 High Similarity NPC475212
0.9136 High Similarity NPC107627
0.913 High Similarity NPC82330
0.9125 High Similarity NPC63438
0.9125 High Similarity NPC290160
0.9119 High Similarity NPC273467
0.9119 High Similarity NPC189552
0.9114 High Similarity NPC123544
0.9108 High Similarity NPC56049
0.9108 High Similarity NPC78492
0.9108 High Similarity NPC208152
0.9108 High Similarity NPC54830
0.9103 High Similarity NPC324447
0.9097 High Similarity NPC316960
0.9097 High Similarity NPC67322
0.9097 High Similarity NPC222713
0.9097 High Similarity NPC476553
0.9097 High Similarity NPC148945
0.9097 High Similarity NPC111112
0.9097 High Similarity NPC476551
0.9097 High Similarity NPC476552
0.9097 High Similarity NPC317715
0.9097 High Similarity NPC309512
0.9097 High Similarity NPC138299
0.9097 High Similarity NPC78835
0.9097 High Similarity NPC204561
0.9091 High Similarity NPC473016
0.9091 High Similarity NPC132345
0.9085 High Similarity NPC475348
0.9085 High Similarity NPC261271
0.9085 High Similarity NPC308200
0.908 High Similarity NPC102277
0.908 High Similarity NPC279209
0.9079 High Similarity NPC470135
0.9079 High Similarity NPC39045
0.9079 High Similarity NPC470136
0.9079 High Similarity NPC271288
0.9068 High Similarity NPC477840
0.9062 High Similarity NPC261896
0.9062 High Similarity NPC310603
0.9057 High Similarity NPC312993
0.9057 High Similarity NPC186325
0.9045 High Similarity NPC254351
0.9032 High Similarity NPC321896
0.9032 High Similarity NPC476185
0.9032 High Similarity NPC29777
0.9032 High Similarity NPC471115
0.9026 High Similarity NPC145467
0.9026 High Similarity NPC152233
0.9026 High Similarity NPC35150
0.9026 High Similarity NPC168085
0.9026 High Similarity NPC106328
0.9026 High Similarity NPC39195
0.9024 High Similarity NPC257667
0.9024 High Similarity NPC186847
0.9024 High Similarity NPC472454
0.902 High Similarity NPC472629
0.9018 High Similarity NPC300307
0.9018 High Similarity NPC53252
0.9013 High Similarity NPC81697
0.9013 High Similarity NPC223812
0.9013 High Similarity NPC85162
0.9013 High Similarity NPC278249
0.9013 High Similarity NPC125894
0.9013 High Similarity NPC77794
0.9013 High Similarity NPC107177
0.9006 High Similarity NPC159508
0.9 High Similarity NPC142252
0.9 High Similarity NPC92589
0.8994 High Similarity NPC177650
0.8994 High Similarity NPC40583
0.8988 High Similarity NPC150977
0.8981 High Similarity NPC1477
0.8981 High Similarity NPC213608
0.8976 High Similarity NPC101991
0.8974 High Similarity NPC472636
0.897 High Similarity NPC59491
0.897 High Similarity NPC24748
0.8968 High Similarity NPC471114
0.8968 High Similarity NPC288840
0.8968 High Similarity NPC291746
0.8968 High Similarity NPC317492
0.8963 High Similarity NPC8704
0.8963 High Similarity NPC287884
0.8961 High Similarity NPC296998
0.8961 High Similarity NPC10990
0.8961 High Similarity NPC473077
0.8961 High Similarity NPC300988
0.8954 High Similarity NPC124780
0.8954 High Similarity NPC235217
0.8954 High Similarity NPC470890
0.8954 High Similarity NPC473015
0.8954 High Similarity NPC131568
0.8954 High Similarity NPC311144
0.8954 High Similarity NPC194949
0.8954 High Similarity NPC473014
0.8954 High Similarity NPC131579
0.8954 High Similarity NPC87486
0.8954 High Similarity NPC473013
0.8954 High Similarity NPC282957
0.8951 High Similarity NPC474591
0.8947 High Similarity NPC148757
0.8947 High Similarity NPC296917
0.8947 High Similarity NPC37496
0.8947 High Similarity NPC76372

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC312273 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
0.929 High Similarity NPD8443 Clinical (unspecified phase)
0.9241 High Similarity NPD6959 Discontinued
0.8951 High Similarity NPD7852 Clinical (unspecified phase)
0.8861 High Similarity NPD2393 Clinical (unspecified phase)
0.8742 High Similarity NPD7819 Suspended
0.8734 High Similarity NPD7411 Suspended
0.872 High Similarity NPD6167 Clinical (unspecified phase)
0.872 High Similarity NPD6168 Clinical (unspecified phase)
0.872 High Similarity NPD6166 Phase 2
0.871 High Similarity NPD4378 Clinical (unspecified phase)
0.871 High Similarity NPD7410 Clinical (unspecified phase)
0.8671 High Similarity NPD4380 Phase 2
0.8634 High Similarity NPD7768 Phase 2
0.8618 High Similarity NPD1552 Clinical (unspecified phase)
0.8618 High Similarity NPD1550 Clinical (unspecified phase)
0.8589 High Similarity NPD5494 Approved
0.8562 High Similarity NPD1549 Phase 2
0.8562 High Similarity NPD1934 Approved
0.8466 Intermediate Similarity NPD7075 Discontinued
0.8452 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD3749 Approved
0.8312 Intermediate Similarity NPD2796 Approved
0.8304 Intermediate Similarity NPD6559 Discontinued
0.8294 Intermediate Similarity NPD7074 Phase 3
0.8293 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD7390 Discontinued
0.8282 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8247 Intermediate Similarity NPD1510 Phase 2
0.8246 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD7054 Approved
0.8225 Intermediate Similarity NPD7473 Discontinued
0.8187 Intermediate Similarity NPD7472 Approved
0.8182 Intermediate Similarity NPD3882 Suspended
0.8176 Intermediate Similarity NPD3818 Discontinued
0.8176 Intermediate Similarity NPD1511 Approved
0.8171 Intermediate Similarity NPD2801 Approved
0.8155 Intermediate Similarity NPD6232 Discontinued
0.8153 Intermediate Similarity NPD2800 Approved
0.815 Intermediate Similarity NPD7808 Phase 3
0.814 Intermediate Similarity NPD6797 Phase 2
0.8129 Intermediate Similarity NPD5844 Phase 1
0.8125 Intermediate Similarity NPD2533 Approved
0.8125 Intermediate Similarity NPD2532 Approved
0.8125 Intermediate Similarity NPD2534 Approved
0.811 Intermediate Similarity NPD6801 Discontinued
0.8105 Intermediate Similarity NPD1240 Approved
0.8103 Intermediate Similarity NPD8312 Approved
0.8103 Intermediate Similarity NPD8313 Approved
0.8092 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD7251 Discontinued
0.8075 Intermediate Similarity NPD1512 Approved
0.8038 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD3817 Phase 2
0.8 Intermediate Similarity NPD1607 Approved
0.7975 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7961 Intermediate Similarity NPD4908 Phase 1
0.7943 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7889 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7875 Intermediate Similarity NPD3750 Approved
0.7848 Intermediate Similarity NPD2935 Discontinued
0.7841 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD6799 Approved
0.7818 Intermediate Similarity NPD3226 Approved
0.7805 Intermediate Similarity NPD920 Approved
0.7799 Intermediate Similarity NPD2344 Approved
0.7798 Intermediate Similarity NPD5402 Approved
0.7778 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD6651 Approved
0.7771 Intermediate Similarity NPD6599 Discontinued
0.7738 Intermediate Similarity NPD8455 Phase 2
0.7736 Intermediate Similarity NPD6099 Approved
0.7736 Intermediate Similarity NPD6100 Approved
0.7733 Intermediate Similarity NPD7229 Phase 3
0.7711 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7705 Intermediate Similarity NPD4360 Phase 2
0.7705 Intermediate Similarity NPD4363 Phase 3
0.7702 Intermediate Similarity NPD1243 Approved
0.7697 Intermediate Similarity NPD5403 Approved
0.7688 Intermediate Similarity NPD3926 Phase 2
0.7683 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD2799 Discontinued
0.7669 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD5711 Approved
0.763 Intermediate Similarity NPD5710 Approved
0.7628 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD5953 Discontinued
0.7625 Intermediate Similarity NPD1551 Phase 2
0.7607 Intermediate Similarity NPD2309 Approved
0.759 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD2346 Discontinued
0.7576 Intermediate Similarity NPD5401 Approved
0.7572 Intermediate Similarity NPD7199 Phase 2
0.7572 Intermediate Similarity NPD1247 Approved
0.7562 Intermediate Similarity NPD3748 Approved
0.7558 Intermediate Similarity NPD919 Approved
0.7552 Intermediate Similarity NPD8151 Discontinued
0.7546 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD1465 Phase 2
0.7529 Intermediate Similarity NPD3787 Discontinued
0.7527 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD7870 Phase 2
0.7526 Intermediate Similarity NPD7871 Phase 2
0.7516 Intermediate Similarity NPD5406 Approved
0.7516 Intermediate Similarity NPD5408 Approved
0.7516 Intermediate Similarity NPD5404 Approved
0.7516 Intermediate Similarity NPD5405 Approved
0.7514 Intermediate Similarity NPD7286 Phase 2
0.7514 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6781 Approved
0.75 Intermediate Similarity NPD6777 Approved
0.75 Intermediate Similarity NPD1610 Phase 2
0.75 Intermediate Similarity NPD6780 Approved
0.75 Intermediate Similarity NPD6778 Approved
0.75 Intermediate Similarity NPD6776 Approved
0.75 Intermediate Similarity NPD6782 Approved
0.75 Intermediate Similarity NPD7458 Discontinued
0.75 Intermediate Similarity NPD6779 Approved
0.7486 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD7698 Approved
0.7474 Intermediate Similarity NPD7697 Approved
0.7474 Intermediate Similarity NPD7696 Phase 3
0.7473 Intermediate Similarity NPD4361 Phase 2
0.7473 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD8150 Discontinued
0.7471 Intermediate Similarity NPD37 Approved
0.747 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD3751 Discontinued
0.7458 Intermediate Similarity NPD7228 Approved
0.7457 Intermediate Similarity NPD6234 Discontinued
0.7442 Intermediate Similarity NPD4966 Approved
0.7442 Intermediate Similarity NPD4965 Approved
0.7442 Intermediate Similarity NPD4967 Phase 2
0.7439 Intermediate Similarity NPD4628 Phase 3
0.7439 Intermediate Similarity NPD7003 Approved
0.7436 Intermediate Similarity NPD2861 Phase 2
0.7425 Intermediate Similarity NPD6273 Approved
0.7412 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD2313 Discontinued
0.7391 Intermediate Similarity NPD4287 Approved
0.7386 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD7783 Phase 2
0.7385 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7382 Intermediate Similarity NPD7435 Discontinued
0.7377 Intermediate Similarity NPD8434 Phase 2
0.7375 Intermediate Similarity NPD5124 Phase 1
0.7375 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7177 Discontinued
0.7346 Intermediate Similarity NPD7033 Discontinued
0.7342 Intermediate Similarity NPD4625 Phase 3
0.7333 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD5761 Phase 2
0.7326 Intermediate Similarity NPD5760 Phase 2
0.732 Intermediate Similarity NPD7701 Phase 2
0.7316 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD1613 Approved
0.7312 Intermediate Similarity NPD943 Approved
0.7312 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD3268 Approved
0.7296 Intermediate Similarity NPD7801 Approved
0.7278 Intermediate Similarity NPD6832 Phase 2
0.7263 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD2798 Approved
0.7245 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7874 Approved
0.724 Intermediate Similarity NPD6823 Phase 2
0.7234 Intermediate Similarity NPD6535 Approved
0.7234 Intermediate Similarity NPD6534 Approved
0.7226 Intermediate Similarity NPD1608 Approved
0.7211 Intermediate Similarity NPD7699 Phase 2
0.7211 Intermediate Similarity NPD7700 Phase 2
0.7197 Intermediate Similarity NPD2797 Approved
0.7197 Intermediate Similarity NPD1203 Approved
0.7188 Intermediate Similarity NPD3764 Approved
0.7188 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD1729 Discontinued
0.7179 Intermediate Similarity NPD4749 Approved
0.7179 Intermediate Similarity NPD7584 Approved
0.7175 Intermediate Similarity NPD8127 Discontinued
0.717 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD2654 Approved
0.7168 Intermediate Similarity NPD6844 Discontinued
0.7165 Intermediate Similarity NPD8320 Phase 1
0.7165 Intermediate Similarity NPD8319 Approved
0.7161 Intermediate Similarity NPD1201 Approved
0.716 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6004 Phase 3
0.7152 Intermediate Similarity NPD6005 Phase 3
0.7152 Intermediate Similarity NPD6002 Phase 3
0.7124 Intermediate Similarity NPD1548 Phase 1
0.7107 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD7240 Approved
0.7104 Intermediate Similarity NPD7685 Pre-registration
0.7101 Intermediate Similarity NPD7213 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3600406
ZINC  

Physicochemical Properties

Molecular Weight:  566.19
ALogP:  -1.193
MLogP:  4.32
XLogP:  4.295
# Rotatable Bonds:  12
Polar Surface Area:  136.68
# H-Bond Aceptor:  1
# H-Bond Donor:  5
# Rings:  6
# Heavy Atoms:  42

Download Data

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