Natural Product: NPC473010

Natural Product ID:  NPC473010
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C39H40O10
Standard InCHIKey:  HHSHAXHGYOQIQP-OZRRSSBWSA-N
Standard InCHI:  InChI=1S/C39H40O10/c1-38(2)12-11-21(39(3,4)49-38)15-27-36-32(29(45)18-30(47-36)26-10-9-23(41)17-28(26)44)34(46)33-31(20-13-24(42)16-25(43)14-20)35(48-37(27)33)19-5-7-22(40)8-6-19/h5-10,13-14,16-17,21,30-31,35,40-44,46H,11-12,15,18H2,1-4H3/t21?,30-,31-,35+/m0/s1
Canonical SMILES:  Oc1ccc(cc1)[C@H]1Oc2c([C@@H]1c1cc(O)cc(c1)O)c(O)c1c(c2CC2CCC(OC2(C)C)(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 = 27800 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 NPC473010 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 NPC473009
0.9871 High Similarity NPC473012
0.9806 High Similarity NPC312273
0.9806 High Similarity NPC301256
0.9613 High Similarity NPC1796
0.9551 High Similarity NPC51247
0.9494 High Similarity NPC473011
0.949 High Similarity NPC226462
0.949 High Similarity NPC42965
0.949 High Similarity NPC98023
0.9487 High Similarity NPC257166
0.9487 High Similarity NPC475184
0.9437 High Similarity NPC251336
0.9427 High Similarity NPC15815
0.9423 High Similarity NPC69531
0.9419 High Similarity NPC121568
0.9367 High Similarity NPC121647
0.9367 High Similarity NPC195136
0.9363 High Similarity NPC271741
0.9363 High Similarity NPC287789
0.9359 High Similarity NPC79375
0.9359 High Similarity NPC134171
0.9359 High Similarity NPC300668
0.9359 High Similarity NPC37253
0.9325 High Similarity NPC477529
0.9304 High Similarity NPC51760
0.9304 High Similarity NPC105584
0.9299 High Similarity NPC61112
0.9299 High Similarity NPC198489
0.9299 High Similarity NPC32867
0.929 High Similarity NPC178484
0.925 High Similarity NPC15374
0.9241 High Similarity NPC318527
0.9241 High Similarity NPC208258
0.9241 High Similarity NPC323627
0.9241 High Similarity NPC324358
0.9241 High Similarity NPC322459
0.9236 High Similarity NPC201227
0.9236 High Similarity NPC258474
0.9236 High Similarity NPC66441
0.9236 High Similarity NPC182555
0.9231 High Similarity NPC39154
0.9231 High Similarity NPC78324
0.9231 High Similarity NPC115601
0.9231 High Similarity NPC208011
0.9198 High Similarity NPC224851
0.9187 High Similarity NPC137232
0.9187 High Similarity NPC18380
0.9182 High Similarity NPC295090
0.9177 High Similarity NPC309648
0.9167 High Similarity NPC150977
0.9161 High Similarity NPC3642
0.9161 High Similarity NPC473016
0.9141 High Similarity NPC286230
0.9141 High Similarity NPC253730
0.9125 High Similarity NPC184326
0.9125 High Similarity NPC292863
0.9114 High Similarity NPC52611
0.9114 High Similarity NPC248739
0.9114 High Similarity NPC186227
0.9114 High Similarity NPC150908
0.9114 High Similarity NPC159707
0.9114 High Similarity NPC158027
0.9114 High Similarity NPC100049
0.9114 High Similarity NPC265624
0.9114 High Similarity NPC215203
0.9114 High Similarity NPC121649
0.9114 High Similarity NPC205026
0.9114 High Similarity NPC14606
0.9108 High Similarity NPC43345
0.9108 High Similarity NPC174086
0.9103 High Similarity NPC472633
0.9097 High Similarity NPC122894
0.908 High Similarity NPC82330
0.908 High Similarity NPC320741
0.908 High Similarity NPC171985
0.9074 High Similarity NPC38591
0.9074 High Similarity NPC63438
0.9062 High Similarity NPC55443
0.9062 High Similarity NPC18699
0.9062 High Similarity NPC195167
0.9057 High Similarity NPC56049
0.9057 High Similarity NPC54830
0.9051 High Similarity NPC324447
0.9051 High Similarity NPC72425
0.9051 High Similarity NPC303485
0.9051 High Similarity NPC194593
0.9051 High Similarity NPC71061
0.9051 High Similarity NPC290830
0.9048 High Similarity NPC121888
0.9045 High Similarity NPC476553
0.9045 High Similarity NPC476551
0.9045 High Similarity NPC476552
0.9042 High Similarity NPC101991
0.9038 High Similarity NPC132345
0.9032 High Similarity NPC261271
0.9032 High Similarity NPC475348
0.903 High Similarity NPC8704
0.903 High Similarity NPC287884
0.9018 High Similarity NPC477840
0.9018 High Similarity NPC169471
0.9018 High Similarity NPC469664
0.8982 High Similarity NPC300657
0.8981 High Similarity NPC29777
0.8981 High Similarity NPC471115
0.8976 High Similarity NPC257667
0.8976 High Similarity NPC186847
0.8976 High Similarity NPC472454
0.8974 High Similarity NPC152233
0.8974 High Similarity NPC145467
0.897 High Similarity NPC475212
0.897 High Similarity NPC107627
0.8968 High Similarity NPC127059
0.8968 High Similarity NPC285630
0.8968 High Similarity NPC470134
0.8968 High Similarity NPC24136
0.8968 High Similarity NPC470132
0.8968 High Similarity NPC473078
0.8968 High Similarity NPC290133
0.8968 High Similarity NPC228779
0.8968 High Similarity NPC187282
0.8968 High Similarity NPC470133
0.8968 High Similarity NPC470131
0.8968 High Similarity NPC109183
0.8957 High Similarity NPC290160
0.8957 High Similarity NPC159508
0.8951 High Similarity NPC273467
0.8951 High Similarity NPC92589
0.8951 High Similarity NPC189552
0.8944 High Similarity NPC123544
0.8944 High Similarity NPC472617
0.8938 High Similarity NPC78492
0.8938 High Similarity NPC208152
0.8924 High Similarity NPC316960
0.8924 High Similarity NPC309512
0.8924 High Similarity NPC67322
0.8924 High Similarity NPC222713
0.8924 High Similarity NPC148945
0.8924 High Similarity NPC78835
0.8924 High Similarity NPC472636
0.8924 High Similarity NPC317715
0.8924 High Similarity NPC138299
0.8924 High Similarity NPC111112
0.8924 High Similarity NPC204561
0.8922 High Similarity NPC73899
0.8922 High Similarity NPC59491
0.8922 High Similarity NPC168789
0.8922 High Similarity NPC474276
0.8922 High Similarity NPC17105
0.8922 High Similarity NPC147363
0.8922 High Similarity NPC24748
0.8916 High Similarity NPC279209
0.8916 High Similarity NPC102277
0.891 High Similarity NPC308200
0.891 High Similarity NPC473077
0.891 High Similarity NPC296998
0.891 High Similarity NPC283234
0.8909 High Similarity NPC292233
0.8903 High Similarity NPC470136
0.8903 High Similarity NPC131579
0.8903 High Similarity NPC39045
0.8903 High Similarity NPC473014
0.8903 High Similarity NPC271288
0.8903 High Similarity NPC470135
0.8903 High Similarity NPC282957
0.8903 High Similarity NPC235217
0.8903 High Similarity NPC194949
0.8903 High Similarity NPC131568
0.8896 High Similarity NPC310603
0.8896 High Similarity NPC477841
0.8896 High Similarity NPC261896
0.8895 High Similarity NPC47905
0.8895 High Similarity NPC73929
0.8895 High Similarity NPC139683
0.8889 High Similarity NPC312993
0.8889 High Similarity NPC186325
0.8882 High Similarity NPC471209
0.8882 High Similarity NPC65504
0.8882 High Similarity NPC196448
0.8882 High Similarity NPC281137
0.8882 High Similarity NPC282390
0.8875 High Similarity NPC254351
0.8875 High Similarity NPC275575
0.8875 High Similarity NPC477958
0.8868 High Similarity NPC475790
0.8868 High Similarity NPC473996
0.8868 High Similarity NPC477957
0.8861 High Similarity NPC476509
0.8861 High Similarity NPC321896
0.8861 High Similarity NPC476185
0.8855 High Similarity NPC53252
0.8855 High Similarity NPC300307
0.8854 High Similarity NPC106328
0.8854 High Similarity NPC168085
0.8854 High Similarity NPC39195
0.8854 High Similarity NPC132592
0.8854 High Similarity NPC161191
0.8854 High Similarity NPC160821
0.8854 High Similarity NPC35150
0.8848 High Similarity NPC120593

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473010 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
0.9236 High Similarity NPD8443 Clinical (unspecified phase)
0.9187 High Similarity NPD6959 Discontinued
0.8788 High Similarity NPD7852 Clinical (unspecified phase)
0.8696 High Similarity NPD7819 Suspended
0.8696 High Similarity NPD2393 Clinical (unspecified phase)
0.8675 High Similarity NPD6167 Clinical (unspecified phase)
0.8675 High Similarity NPD6168 Clinical (unspecified phase)
0.8675 High Similarity NPD6166 Phase 2
0.8662 High Similarity NPD7410 Clinical (unspecified phase)
0.8589 High Similarity NPD7768 Phase 2
0.8571 High Similarity NPD7411 Suspended
0.8545 High Similarity NPD5494 Approved
0.8544 High Similarity NPD4378 Clinical (unspecified phase)
0.8521 High Similarity NPD7804 Clinical (unspecified phase)
0.8509 High Similarity NPD4380 Phase 2
0.8452 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD7075 Discontinued
0.8405 Intermediate Similarity NPD1934 Approved
0.8397 Intermediate Similarity NPD1549 Phase 2
0.8363 Intermediate Similarity NPD7074 Phase 3
0.8313 Intermediate Similarity NPD3749 Approved
0.8304 Intermediate Similarity NPD7054 Approved
0.8256 Intermediate Similarity NPD7472 Approved
0.8242 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8218 Intermediate Similarity NPD7808 Phase 3
0.8208 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8204 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD7473 Discontinued
0.8171 Intermediate Similarity NPD8312 Approved
0.8171 Intermediate Similarity NPD8313 Approved
0.8161 Intermediate Similarity NPD7251 Discontinued
0.8161 Intermediate Similarity NPD6559 Discontinued
0.8153 Intermediate Similarity NPD2796 Approved
0.8144 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8137 Intermediate Similarity NPD7390 Discontinued
0.8103 Intermediate Similarity NPD6797 Phase 2
0.8089 Intermediate Similarity NPD1510 Phase 2
0.8036 Intermediate Similarity NPD3882 Suspended
0.8035 Intermediate Similarity NPD3818 Discontinued
0.8025 Intermediate Similarity NPD1511 Approved
0.8024 Intermediate Similarity NPD2801 Approved
0.8012 Intermediate Similarity NPD6232 Discontinued
0.8 Intermediate Similarity NPD2800 Approved
0.7989 Intermediate Similarity NPD5844 Phase 1
0.7975 Intermediate Similarity NPD2532 Approved
0.7975 Intermediate Similarity NPD2534 Approved
0.7975 Intermediate Similarity NPD2533 Approved
0.7964 Intermediate Similarity NPD6801 Discontinued
0.7956 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7949 Intermediate Similarity NPD1240 Approved
0.7935 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD1512 Approved
0.7888 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD3817 Phase 2
0.7848 Intermediate Similarity NPD1607 Approved
0.7826 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD6100 Approved
0.7812 Intermediate Similarity NPD6099 Approved
0.7811 Intermediate Similarity NPD8455 Phase 2
0.7809 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD4908 Phase 1
0.7758 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7747 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD6651 Approved
0.773 Intermediate Similarity NPD3750 Approved
0.7709 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD2935 Discontinued
0.7701 Intermediate Similarity NPD7229 Phase 3
0.7697 Intermediate Similarity NPD6799 Approved
0.7679 Intermediate Similarity NPD3226 Approved
0.7665 Intermediate Similarity NPD920 Approved
0.7661 Intermediate Similarity NPD5402 Approved
0.7654 Intermediate Similarity NPD2344 Approved
0.7633 Intermediate Similarity NPD6599 Discontinued
0.7632 Intermediate Similarity NPD7697 Approved
0.7632 Intermediate Similarity NPD7696 Phase 3
0.7632 Intermediate Similarity NPD7698 Approved
0.7622 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7617 Intermediate Similarity NPD8151 Discontinued
0.7595 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7592 Intermediate Similarity NPD7871 Phase 2
0.7592 Intermediate Similarity NPD7870 Phase 2
0.7582 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD4360 Phase 2
0.7581 Intermediate Similarity NPD4363 Phase 3
0.7574 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD1243 Approved
0.756 Intermediate Similarity NPD5403 Approved
0.7557 Intermediate Similarity NPD3926 Phase 2
0.7545 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD8150 Discontinued
0.7538 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD7783 Phase 2
0.7531 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD2799 Discontinued
0.753 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD7228 Approved
0.75 Intermediate Similarity NPD3787 Discontinued
0.75 Intermediate Similarity NPD5953 Discontinued
0.75 Intermediate Similarity NPD1465 Phase 2
0.75 Intermediate Similarity NPD5710 Approved
0.75 Intermediate Similarity NPD5711 Approved
0.75 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD7286 Phase 2
0.7485 Intermediate Similarity NPD1551 Phase 2
0.7474 Intermediate Similarity NPD6778 Approved
0.7474 Intermediate Similarity NPD7701 Phase 2
0.7474 Intermediate Similarity NPD6780 Approved
0.7474 Intermediate Similarity NPD6782 Approved
0.7474 Intermediate Similarity NPD6779 Approved
0.7474 Intermediate Similarity NPD6781 Approved
0.7474 Intermediate Similarity NPD6777 Approved
0.7474 Intermediate Similarity NPD6776 Approved
0.7471 Intermediate Similarity NPD7458 Discontinued
0.747 Intermediate Similarity NPD2309 Approved
0.7456 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD7435 Discontinued
0.7446 Intermediate Similarity NPD8434 Phase 2
0.7443 Intermediate Similarity NPD1247 Approved
0.7443 Intermediate Similarity NPD7199 Phase 2
0.744 Intermediate Similarity NPD5401 Approved
0.7439 Intermediate Similarity NPD2346 Discontinued
0.743 Intermediate Similarity NPD3751 Discontinued
0.7429 Intermediate Similarity NPD919 Approved
0.7423 Intermediate Similarity NPD3748 Approved
0.7399 Intermediate Similarity NPD5761 Phase 2
0.7399 Intermediate Similarity NPD5760 Phase 2
0.7384 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD5405 Approved
0.7378 Intermediate Similarity NPD5408 Approved
0.7378 Intermediate Similarity NPD5406 Approved
0.7378 Intermediate Similarity NPD5404 Approved
0.7368 Intermediate Similarity NPD7699 Phase 2
0.7368 Intermediate Similarity NPD7700 Phase 2
0.7366 Intermediate Similarity NPD4287 Approved
0.736 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7801 Approved
0.7355 Intermediate Similarity NPD1610 Phase 2
0.7354 Intermediate Similarity NPD4361 Phase 2
0.7354 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD5124 Phase 1
0.7341 Intermediate Similarity NPD37 Approved
0.7337 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD6234 Discontinued
0.732 Intermediate Similarity NPD8319 Approved
0.732 Intermediate Similarity NPD8320 Phase 1
0.7317 Intermediate Similarity NPD7033 Discontinued
0.7314 Intermediate Similarity NPD4966 Approved
0.7314 Intermediate Similarity NPD4965 Approved
0.7314 Intermediate Similarity NPD4967 Phase 2
0.7312 Intermediate Similarity NPD4625 Phase 3
0.731 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7874 Approved
0.7306 Intermediate Similarity NPD6823 Phase 2
0.7305 Intermediate Similarity NPD4628 Phase 3
0.7305 Intermediate Similarity NPD7003 Approved
0.7296 Intermediate Similarity NPD2861 Phase 2
0.7294 Intermediate Similarity NPD6273 Approved
0.7292 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD2313 Discontinued
0.7267 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD6832 Phase 2
0.7245 Intermediate Similarity NPD7584 Approved
0.7244 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD7177 Discontinued
0.7238 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD6535 Approved
0.7211 Intermediate Similarity NPD6534 Approved
0.7202 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD943 Approved
0.7178 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD1613 Approved
0.7176 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD7240 Approved
0.7174 Intermediate Similarity NPD7685 Pre-registration
0.716 Intermediate Similarity NPD3764 Approved
0.716 Intermediate Similarity NPD3268 Approved
0.7152 Intermediate Similarity NPD4749 Approved
0.7152 Intermediate Similarity NPD7097 Phase 1
0.7151 Intermediate Similarity NPD8127 Discontinued
0.7143 Intermediate Similarity NPD6844 Discontinued
0.7143 Intermediate Similarity NPD7577 Discontinued
0.7125 Intermediate Similarity NPD2798 Approved
0.7089 Intermediate Similarity NPD1608 Approved
0.7065 Intermediate Similarity NPD1729 Discontinued
0.7063 Intermediate Similarity NPD2797 Approved
0.7063 Intermediate Similarity NPD1203 Approved
0.7062 Intermediate Similarity NPD8285 Discontinued
0.7041 Intermediate Similarity NPD2654 Approved
0.7039 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7447 Phase 1
0.7033 Intermediate Similarity NPD2403 Approved
0.703 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6355 Discontinued
0.7025 Intermediate Similarity NPD1201 Approved
0.7024 Intermediate Similarity NPD6004 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3600403
ZINC  

Physicochemical Properties

Molecular Weight:  668.26
ALogP:  -1.9703
MLogP:  4.65
XLogP:  4.211
# Rotatable Bonds:  15
Polar Surface Area:  166.14
# H-Bond Aceptor:  2
# H-Bond Donor:  6
# Rings:  7
# Heavy Atoms:  49

Download Data

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