Natural Product: NPC125969

Natural Product ID:  NPC125969
Common Name:   n.a.
IUPAC Name:  
Synonyms:   1Ar,6As,12Ar-11-Hydroxyamorphispironone
Molecular Formula:   C23H22O8
Standard InCHIKey:  ZBTGBOZTIJWBIP-ICPLQIHGSA-N
Standard InCHI:  InChI=1S/C23H22O8/c1-22(2)6-5-11-13(31-22)7-12(24)18-20(26)19-16(30-21(11)18)10-29-23(19)9-15(28-4)14(27-3)8-17(23)25/h5-9,16,19,24H,10H2,1-4H3/t16-,19+,23+/m1/s1
Canonical SMILES:  COC1=C[C@]2(OC[C@@H]3[C@H]2C(=O)c2c(O3)c3C=CC(Oc3cc2O)(C)C)C(=O)C=C1OC
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
NPO16886 Amorpha fruticosa Species Fabaceae Eukaryota PMID[18841906]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 7650 nM 23562058
NPT2 Others Unspecified IC50 = 2120 nM 24900500

  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 NPC125969 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
0.9536 High Similarity NPC288534
0.9221 High Similarity NPC236756
0.9221 High Similarity NPC311579
0.9161 High Similarity NPC476169
0.9038 High Similarity NPC111341
0.9038 High Similarity NPC48579
0.9038 High Similarity NPC304745
0.9038 High Similarity NPC304207
0.9038 High Similarity NPC207809
0.9038 High Similarity NPC259710
0.9038 High Similarity NPC217706
0.9032 High Similarity NPC210597
0.9026 High Similarity NPC29777
0.9026 High Similarity NPC471115
0.9018 High Similarity NPC477529
0.9013 High Similarity NPC329678
0.9006 High Similarity NPC82330
0.9006 High Similarity NPC476255
0.8994 High Similarity NPC476929
0.8987 High Similarity NPC264932
0.8987 High Similarity NPC311574
0.8981 High Similarity NPC10754
0.8981 High Similarity NPC20530
0.8981 High Similarity NPC215917
0.8981 High Similarity NPC146636
0.8974 High Similarity NPC180301
0.8974 High Similarity NPC209760
0.8974 High Similarity NPC100134
0.8974 High Similarity NPC248793
0.8974 High Similarity NPC268193
0.8968 High Similarity NPC472580
0.8968 High Similarity NPC472636
0.8968 High Similarity NPC81474
0.8968 High Similarity NPC471675
0.8961 High Similarity NPC139966
0.8961 High Similarity NPC307052
0.8961 High Similarity NPC473016
0.8954 High Similarity NPC473077
0.8954 High Similarity NPC296998
0.8951 High Similarity NPC193222
0.8938 High Similarity NPC94796
0.8938 High Similarity NPC475106
0.8938 High Similarity NPC472402
0.8931 High Similarity NPC172687
0.8931 High Similarity NPC475107
0.8931 High Similarity NPC43490
0.8924 High Similarity NPC210048
0.8924 High Similarity NPC476930
0.8917 High Similarity NPC471116
0.891 High Similarity NPC150123
0.891 High Similarity NPC476238
0.891 High Similarity NPC10807
0.891 High Similarity NPC217149
0.891 High Similarity NPC275878
0.891 High Similarity NPC216035
0.891 High Similarity NPC31627
0.891 High Similarity NPC161881
0.891 High Similarity NPC244583
0.891 High Similarity NPC56232
0.891 High Similarity NPC327269
0.891 High Similarity NPC473996
0.891 High Similarity NPC477957
0.891 High Similarity NPC285623
0.8902 High Similarity NPC118128
0.8896 High Similarity NPC10097
0.8896 High Similarity NPC296869
0.8889 High Similarity NPC470647
0.8889 High Similarity NPC267375
0.8889 High Similarity NPC83357
0.8889 High Similarity NPC214774
0.8889 High Similarity NPC195621
0.8889 High Similarity NPC62444
0.8889 High Similarity NPC20488
0.8889 High Similarity NPC67805
0.8889 High Similarity NPC88964
0.8889 High Similarity NPC312973
0.8889 High Similarity NPC142405
0.8889 High Similarity NPC475052
0.8889 High Similarity NPC476056
0.8889 High Similarity NPC301276
0.8889 High Similarity NPC111786
0.8889 High Similarity NPC246948
0.8889 High Similarity NPC176229
0.8889 High Similarity NPC54577
0.8882 High Similarity NPC476931
0.8868 High Similarity NPC295090
0.8861 High Similarity NPC470354
0.8854 High Similarity NPC203080
0.8854 High Similarity NPC469405
0.8854 High Similarity NPC223701
0.8854 High Similarity NPC472583
0.8854 High Similarity NPC7989
0.8848 High Similarity NPC475080
0.8846 High Similarity NPC209846
0.8846 High Similarity NPC328740
0.8846 High Similarity NPC289774
0.8846 High Similarity NPC254412
0.8846 High Similarity NPC262038
0.8846 High Similarity NPC319910
0.8846 High Similarity NPC477897
0.8846 High Similarity NPC476162
0.8846 High Similarity NPC278476
0.8846 High Similarity NPC471229
0.8846 High Similarity NPC262039
0.8839 High Similarity NPC277032
0.8839 High Similarity NPC317492
0.8839 High Similarity NPC470461
0.8834 High Similarity NPC292233
0.8834 High Similarity NPC476459
0.8834 High Similarity NPC223413
0.8831 High Similarity NPC23728
0.8831 High Similarity NPC47388
0.8831 High Similarity NPC308200
0.8831 High Similarity NPC202494
0.8831 High Similarity NPC470670
0.8831 High Similarity NPC110303
0.8831 High Similarity NPC473133
0.8831 High Similarity NPC85773
0.8831 High Similarity NPC283234
0.8824 High Similarity NPC131568
0.8824 High Similarity NPC131579
0.8824 High Similarity NPC271288
0.8816 High Similarity NPC204469
0.8816 High Similarity NPC130206
0.8812 High Similarity NPC306978
0.8805 High Similarity NPC65504
0.8805 High Similarity NPC161650
0.8797 High Similarity NPC470681
0.879 High Similarity NPC35567
0.879 High Similarity NPC171651
0.879 High Similarity NPC475790
0.879 High Similarity NPC138288
0.879 High Similarity NPC243171
0.8788 High Similarity NPC476159
0.8782 High Similarity NPC321896
0.8782 High Similarity NPC476185
0.8782 High Similarity NPC180351
0.8782 High Similarity NPC472633
0.8782 High Similarity NPC61258
0.8782 High Similarity NPC267117
0.8782 High Similarity NPC472421
0.8782 High Similarity NPC105136
0.878 High Similarity NPC242395
0.878 High Similarity NPC177480
0.8774 High Similarity NPC211811
0.8774 High Similarity NPC168085
0.8774 High Similarity NPC145467
0.8774 High Similarity NPC470460
0.8774 High Similarity NPC39195
0.8774 High Similarity NPC266572
0.8774 High Similarity NPC132592
0.8774 High Similarity NPC244407
0.8774 High Similarity NPC161191
0.8774 High Similarity NPC160821
0.8766 High Similarity NPC127059
0.8766 High Similarity NPC474302
0.8766 High Similarity NPC124729
0.8766 High Similarity NPC5820
0.8766 High Similarity NPC476088
0.8766 High Similarity NPC306488
0.8766 High Similarity NPC477955
0.8766 High Similarity NPC474161
0.8766 High Similarity NPC285630
0.8766 High Similarity NPC178343
0.8765 High Similarity NPC179198
0.8765 High Similarity NPC66087
0.8765 High Similarity NPC131578
0.8765 High Similarity NPC183672
0.8765 High Similarity NPC278419
0.8765 High Similarity NPC63438
0.8765 High Similarity NPC472581
0.8758 High Similarity NPC214166
0.8758 High Similarity NPC125894
0.8758 High Similarity NPC107177
0.8758 High Similarity NPC478086
0.8758 High Similarity NPC77794
0.8758 High Similarity NPC223812
0.8758 High Similarity NPC219915
0.8758 High Similarity NPC81697
0.8758 High Similarity NPC92589
0.8758 High Similarity NPC85162
0.8758 High Similarity NPC316816
0.8758 High Similarity NPC278249
0.875 High Similarity NPC470607
0.875 High Similarity NPC171870
0.8742 High Similarity NPC164244
0.8742 High Similarity NPC470352
0.8742 High Similarity NPC109967
0.8742 High Similarity NPC32867
0.8742 High Similarity NPC23257
0.8742 High Similarity NPC474738
0.8742 High Similarity NPC129053
0.8742 High Similarity NPC469936
0.8742 High Similarity NPC78554
0.8742 High Similarity NPC475797
0.8742 High Similarity NPC321372
0.8742 High Similarity NPC474609
0.8734 High Similarity NPC112701
0.8734 High Similarity NPC20907
0.8734 High Similarity NPC88983

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC125969 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
0.8805 High Similarity NPD7075 Discontinued
0.8701 High Similarity NPD4378 Clinical (unspecified phase)
0.8679 High Similarity NPD8443 Clinical (unspecified phase)
0.8671 High Similarity NPD6801 Discontinued
0.8662 High Similarity NPD4380 Phase 2
0.8616 High Similarity NPD7096 Clinical (unspecified phase)
0.8554 High Similarity NPD7804 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8395 Intermediate Similarity NPD3882 Suspended
0.8385 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8377 Intermediate Similarity NPD2800 Approved
0.8366 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8366 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD5494 Approved
0.8344 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8312 Intermediate Similarity NPD1549 Phase 2
0.8263 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8263 Intermediate Similarity NPD6166 Phase 2
0.8263 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8261 Intermediate Similarity NPD7411 Suspended
0.821 Intermediate Similarity NPD1934 Approved
0.8193 Intermediate Similarity NPD6959 Discontinued
0.8182 Intermediate Similarity NPD2796 Approved
0.8165 Intermediate Similarity NPD6799 Approved
0.816 Intermediate Similarity NPD7819 Suspended
0.8129 Intermediate Similarity NPD6797 Phase 2
0.8125 Intermediate Similarity NPD5403 Approved
0.8117 Intermediate Similarity NPD1510 Phase 2
0.811 Intermediate Similarity NPD3817 Phase 2
0.8086 Intermediate Similarity NPD6599 Discontinued
0.8081 Intermediate Similarity NPD7251 Discontinued
0.8059 Intermediate Similarity NPD3818 Discontinued
0.8049 Intermediate Similarity NPD2801 Approved
0.8047 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8035 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8035 Intermediate Similarity NPD7808 Phase 3
0.8012 Intermediate Similarity NPD3749 Approved
0.8 Intermediate Similarity NPD5401 Approved
0.8 Intermediate Similarity NPD5402 Approved
0.7987 Intermediate Similarity NPD6651 Approved
0.795 Intermediate Similarity NPD1512 Approved
0.7907 Intermediate Similarity NPD7054 Approved
0.7901 Intermediate Similarity NPD920 Approved
0.7895 Intermediate Similarity NPD7473 Discontinued
0.7888 Intermediate Similarity NPD2532 Approved
0.7888 Intermediate Similarity NPD2534 Approved
0.7888 Intermediate Similarity NPD2533 Approved
0.7874 Intermediate Similarity NPD6559 Discontinued
0.787 Intermediate Similarity NPD1247 Approved
0.7862 Intermediate Similarity NPD3750 Approved
0.7861 Intermediate Similarity NPD7472 Approved
0.7861 Intermediate Similarity NPD7074 Phase 3
0.7857 Intermediate Similarity NPD919 Approved
0.7857 Intermediate Similarity NPD1240 Approved
0.7848 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7844 Intermediate Similarity NPD7768 Phase 2
0.7844 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD2403 Approved
0.7829 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD1511 Approved
0.7824 Intermediate Similarity NPD6232 Discontinued
0.7778 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD3926 Phase 2
0.7756 Intermediate Similarity NPD1607 Approved
0.7688 Intermediate Similarity NPD1243 Approved
0.7673 Intermediate Similarity NPD2344 Approved
0.7669 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD8434 Phase 2
0.7644 Intermediate Similarity NPD3751 Discontinued
0.764 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD5953 Discontinued
0.7613 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5844 Phase 1
0.758 Intermediate Similarity NPD5124 Phase 1
0.758 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD2799 Discontinued
0.7547 Intermediate Similarity NPD3748 Approved
0.7544 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6100 Approved
0.75 Intermediate Similarity NPD4360 Phase 2
0.75 Intermediate Similarity NPD4363 Phase 3
0.75 Intermediate Similarity NPD6099 Approved
0.7485 Intermediate Similarity NPD2309 Approved
0.7484 Intermediate Similarity NPD4908 Phase 1
0.7423 Intermediate Similarity NPD4628 Phase 3
0.7414 Intermediate Similarity NPD5711 Approved
0.7414 Intermediate Similarity NPD3787 Discontinued
0.7414 Intermediate Similarity NPD5710 Approved
0.7412 Intermediate Similarity NPD1465 Phase 2
0.7403 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD7286 Phase 2
0.7394 Intermediate Similarity NPD6776 Approved
0.7394 Intermediate Similarity NPD6778 Approved
0.7394 Intermediate Similarity NPD6782 Approved
0.7394 Intermediate Similarity NPD6779 Approved
0.7394 Intermediate Similarity NPD6780 Approved
0.7394 Intermediate Similarity NPD6777 Approved
0.7394 Intermediate Similarity NPD6781 Approved
0.7391 Intermediate Similarity NPD1551 Phase 2
0.7389 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD3226 Approved
0.7371 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7435 Discontinued
0.7366 Intermediate Similarity NPD4361 Phase 2
0.7366 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD8150 Discontinued
0.7358 Intermediate Similarity NPD6355 Discontinued
0.7329 Intermediate Similarity NPD7033 Discontinued
0.7329 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD2424 Discontinued
0.7293 Intermediate Similarity NPD8312 Approved
0.7293 Intermediate Similarity NPD8313 Approved
0.7284 Intermediate Similarity NPD2935 Discontinued
0.7278 Intermediate Similarity NPD2313 Discontinued
0.7277 Intermediate Similarity NPD7697 Approved
0.7277 Intermediate Similarity NPD7696 Phase 3
0.7277 Intermediate Similarity NPD7698 Approved
0.7255 Intermediate Similarity NPD1610 Phase 2
0.7254 Intermediate Similarity NPD7584 Approved
0.7246 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD7870 Phase 2
0.724 Intermediate Similarity NPD7871 Phase 2
0.7239 Intermediate Similarity NPD1471 Phase 3
0.7232 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD7390 Discontinued
0.7176 Intermediate Similarity NPD7458 Discontinued
0.717 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD3268 Approved
0.717 Intermediate Similarity NPD6798 Discontinued
0.7167 Intermediate Similarity NPD1729 Discontinued
0.7161 Intermediate Similarity NPD4749 Approved
0.716 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD7199 Phase 2
0.7152 Intermediate Similarity NPD2654 Approved
0.7151 Intermediate Similarity NPD37 Approved
0.7143 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6234 Discontinued
0.7143 Intermediate Similarity NPD7874 Approved
0.7134 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD2346 Discontinued
0.7134 Intermediate Similarity NPD2798 Approved
0.7128 Intermediate Similarity NPD7701 Phase 2
0.7128 Intermediate Similarity NPD6535 Approved
0.7128 Intermediate Similarity NPD6534 Approved
0.7126 Intermediate Similarity NPD4965 Approved
0.7126 Intermediate Similarity NPD4967 Phase 2
0.7126 Intermediate Similarity NPD4966 Approved
0.7119 Intermediate Similarity NPD7229 Phase 3
0.711 Intermediate Similarity NPD5761 Phase 2
0.711 Intermediate Similarity NPD5760 Phase 2
0.7107 Intermediate Similarity NPD7801 Approved
0.7097 Intermediate Similarity NPD4287 Approved
0.7097 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD943 Approved
0.7081 Intermediate Similarity NPD4060 Phase 1
0.7076 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD2797 Approved
0.7062 Intermediate Similarity NPD8320 Phase 1
0.7062 Intermediate Similarity NPD8319 Approved
0.7056 Intermediate Similarity NPD7228 Approved
0.7056 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD7097 Phase 1
0.7044 Intermediate Similarity NPD6832 Phase 2
0.7032 Intermediate Similarity NPD422 Phase 1
0.703 Intermediate Similarity NPD6005 Phase 3
0.703 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6002 Phase 3
0.703 Intermediate Similarity NPD6004 Phase 3
0.703 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD7700 Phase 2
0.7016 Intermediate Similarity NPD7699 Phase 2
0.7012 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD8455 Phase 2
0.7005 Intermediate Similarity NPD8151 Discontinued
0.7 Intermediate Similarity NPD4625 Phase 3
0.6995 Remote Similarity NPD7685 Pre-registration
0.6993 Remote Similarity NPD1548 Phase 1
0.6987 Remote Similarity NPD9717 Approved
0.6975 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6975 Remote Similarity NPD1613 Approved
0.6971 Remote Similarity NPD4288 Approved
0.6971 Remote Similarity NPD2296 Approved
0.6964 Remote Similarity NPD6190 Approved
0.6964 Remote Similarity NPD3887 Approved
0.6962 Remote Similarity NPD1203 Approved
0.6961 Remote Similarity NPD7907 Approved
0.6961 Remote Similarity NPD8366 Approved
0.6957 Remote Similarity NPD3764 Approved
0.6946 Remote Similarity NPD1652 Phase 2
0.6935 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6935 Remote Similarity NPD7783 Phase 2
0.6933 Remote Similarity NPD230 Phase 1

Structure

External Identifiers

PubChem CID   25135580
ChEMBL   CHEMBL491618
ZINC  

Physicochemical Properties

Molecular Weight:  426.13
ALogP:  -1.025
MLogP:  3.11
XLogP:  0.874
# Rotatable Bonds:  7
Polar Surface Area:  100.52
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  31

Download Data

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