Natural Product: NPC477840

Natural Product ID:  NPC477840
Common Name:   5-hydroxy-2-[4-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]phenyl]-7-methoxy-2,3-dihydrochromen-4-one
IUPAC Name:   5-hydroxy-2-[4-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]phenyl]-7-methoxy-2,3-dihydrochromen-4-one
Synonyms:  
Molecular Formula:   C32H26O10
Standard InCHIKey:  ILTSXACDAGDHTJ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C32H26O10/c1-38-19-10-22(34)31-24(36)14-26(41-29(31)12-19)16-3-6-18(7-4-16)40-28-9-17(5-8-21(28)33)27-15-25(37)32-23(35)11-20(39-2)13-30(32)42-27/h3-13,26-27,33-35H,14-15H2,1-2H3
Canonical SMILES:  COc1cc2OC(CC(=O)c2c(c1)O)c1ccc(cc1)Oc1cc(ccc1O)C1CC(=O)c2c(O1)cc(cc2O)OC
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
NPO21239 Quintinia acutifolia Species Paracryphiaceae Eukaryota Leaves Charleston, New Zealand 1997-JAN PMID[15104507]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 = 8.7 ug/ml 15104507

  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 NPC477840 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
0.9871 High Similarity NPC477841
0.9744 High Similarity NPC219927
0.9686 High Similarity NPC475212
0.9625 High Similarity NPC476365
0.962 High Similarity NPC36916
0.962 High Similarity NPC58223
0.962 High Similarity NPC7688
0.962 High Similarity NPC36
0.962 High Similarity NPC7154
0.962 High Similarity NPC72787
0.962 High Similarity NPC125039
0.9554 High Similarity NPC113163
0.9554 High Similarity NPC66618
0.9554 High Similarity NPC288131
0.9554 High Similarity NPC305987
0.9554 High Similarity NPC165970
0.9554 High Similarity NPC158188
0.9554 High Similarity NPC84324
0.95 High Similarity NPC14662
0.949 High Similarity NPC101731
0.9437 High Similarity NPC224851
0.943 High Similarity NPC142252
0.9427 High Similarity NPC476410
0.9427 High Similarity NPC284127
0.9427 High Similarity NPC172202
0.9419 High Similarity NPC18727
0.9394 High Similarity NPC324742
0.9379 High Similarity NPC243877
0.9371 High Similarity NPC476247
0.9363 High Similarity NPC63454
0.9363 High Similarity NPC183851
0.9363 High Similarity NPC183
0.9363 High Similarity NPC112954
0.9355 High Similarity NPC302950
0.9355 High Similarity NPC219582
0.9355 High Similarity NPC236637
0.9325 High Similarity NPC186847
0.9325 High Similarity NPC257667
0.9325 High Similarity NPC472454
0.9317 High Similarity NPC171985
0.9317 High Similarity NPC320741
0.9313 High Similarity NPC272064
0.9308 High Similarity NPC471211
0.9308 High Similarity NPC26326
0.9308 High Similarity NPC471212
0.9308 High Similarity NPC472632
0.9308 High Similarity NPC471210
0.9299 High Similarity NPC195796
0.9299 High Similarity NPC291878
0.9299 High Similarity NPC35038
0.9299 High Similarity NPC278778
0.9277 High Similarity NPC185275
0.9259 High Similarity NPC295082
0.925 High Similarity NPC474034
0.925 High Similarity NPC474033
0.9245 High Similarity NPC192686
0.9245 High Similarity NPC118256
0.9245 High Similarity NPC188967
0.9245 High Similarity NPC119209
0.9245 High Similarity NPC174953
0.9241 High Similarity NPC162869
0.9241 High Similarity NPC471515
0.9241 High Similarity NPC474208
0.9241 High Similarity NPC471209
0.9241 High Similarity NPC474055
0.9241 High Similarity NPC471479
0.9241 High Similarity NPC472598
0.9241 High Similarity NPC156057
0.9241 High Similarity NPC475267
0.9241 High Similarity NPC474836
0.9241 High Similarity NPC27337
0.9241 High Similarity NPC48208
0.9241 High Similarity NPC291508
0.9236 High Similarity NPC45849
0.9236 High Similarity NPC200761
0.9236 High Similarity NPC470327
0.9236 High Similarity NPC477503
0.9231 High Similarity NPC472912
0.9226 High Similarity NPC338131
0.9217 High Similarity NPC265380
0.9207 High Similarity NPC476370
0.9207 High Similarity NPC4200
0.9202 High Similarity NPC107627
0.9198 High Similarity NPC272560
0.9198 High Similarity NPC236934
0.9198 High Similarity NPC5778
0.9198 High Similarity NPC471213
0.9187 High Similarity NPC196179
0.9187 High Similarity NPC474038
0.9187 High Similarity NPC34089
0.9187 High Similarity NPC472634
0.9187 High Similarity NPC471499
0.9187 High Similarity NPC173137
0.9187 High Similarity NPC134783
0.9182 High Similarity NPC154304
0.9182 High Similarity NPC473990
0.9182 High Similarity NPC117418
0.9182 High Similarity NPC190487
0.9182 High Similarity NPC53545
0.9177 High Similarity NPC235165
0.9177 High Similarity NPC471500
0.9177 High Similarity NPC470328
0.9177 High Similarity NPC255106
0.9177 High Similarity NPC209614
0.9177 High Similarity NPC326037
0.9177 High Similarity NPC13858
0.9177 High Similarity NPC320825
0.9177 High Similarity NPC472626
0.9177 High Similarity NPC250922
0.9172 High Similarity NPC192083
0.9172 High Similarity NPC213896
0.9167 High Similarity NPC150977
0.9162 High Similarity NPC471030
0.9152 High Similarity NPC476374
0.9146 High Similarity NPC79056
0.9146 High Similarity NPC44328
0.9146 High Similarity NPC105095
0.9146 High Similarity NPC231194
0.9146 High Similarity NPC102277
0.9146 High Similarity NPC177731
0.9146 High Similarity NPC51326
0.9146 High Similarity NPC279209
0.9141 High Similarity NPC260266
0.9136 High Similarity NPC293319
0.9136 High Similarity NPC62261
0.9136 High Similarity NPC224280
0.913 High Similarity NPC472635
0.913 High Similarity NPC476371
0.913 High Similarity NPC476372
0.913 High Similarity NPC201800
0.9125 High Similarity NPC472630
0.9125 High Similarity NPC472624
0.9125 High Similarity NPC36217
0.9125 High Similarity NPC287328
0.9125 High Similarity NPC470326
0.9125 High Similarity NPC475784
0.9125 High Similarity NPC282009
0.9125 High Similarity NPC472631
0.9125 High Similarity NPC53889
0.9119 High Similarity NPC284820
0.9119 High Similarity NPC223787
0.9119 High Similarity NPC129684
0.9119 High Similarity NPC185526
0.9119 High Similarity NPC472914
0.9119 High Similarity NPC99597
0.9119 High Similarity NPC472913
0.9119 High Similarity NPC245758
0.9119 High Similarity NPC271741
0.9119 High Similarity NPC52530
0.9119 High Similarity NPC472911
0.9119 High Similarity NPC210084
0.9119 High Similarity NPC222814
0.9119 High Similarity NPC472910
0.9119 High Similarity NPC299520
0.9119 High Similarity NPC287789
0.9119 High Similarity NPC473272
0.9119 High Similarity NPC96167
0.9119 High Similarity NPC67876
0.9114 High Similarity NPC67396
0.9114 High Similarity NPC37392
0.9114 High Similarity NPC321779
0.9114 High Similarity NPC226025
0.9108 High Similarity NPC106976
0.9108 High Similarity NPC477231
0.9108 High Similarity NPC260979
0.9108 High Similarity NPC257648
0.9107 High Similarity NPC117668
0.9097 High Similarity NPC188679
0.9097 High Similarity NPC294852
0.9097 High Similarity NPC321011
0.9096 High Similarity NPC99591
0.9091 High Similarity NPC81332
0.9091 High Similarity NPC271848
0.9091 High Similarity NPC256760
0.9091 High Similarity NPC262580
0.9091 High Similarity NPC67134
0.9091 High Similarity NPC212038
0.9091 High Similarity NPC289396
0.9091 High Similarity NPC174700
0.9091 High Similarity NPC47140
0.9085 High Similarity NPC209296
0.9085 High Similarity NPC188079
0.9085 High Similarity NPC229687
0.9085 High Similarity NPC195257
0.9085 High Similarity NPC293629
0.9085 High Similarity NPC300307
0.9085 High Similarity NPC43587
0.908 High Similarity NPC477517
0.908 High Similarity NPC115674
0.908 High Similarity NPC210073
0.9074 High Similarity NPC29830
0.9074 High Similarity NPC472625
0.9074 High Similarity NPC186686
0.9068 High Similarity NPC266314
0.9068 High Similarity NPC301256
0.9068 High Similarity NPC289771
0.9068 High Similarity NPC312273
0.9068 High Similarity NPC112418
0.9064 High Similarity NPC473618
0.9062 High Similarity NPC87317

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477840 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
0.962 High Similarity NPD6167 Clinical (unspecified phase)
0.962 High Similarity NPD6166 Phase 2
0.962 High Similarity NPD6168 Clinical (unspecified phase)
0.9355 High Similarity NPD1934 Approved
0.9172 High Similarity NPD2393 Clinical (unspecified phase)
0.9146 High Similarity NPD7074 Phase 3
0.9085 High Similarity NPD7054 Approved
0.903 High Similarity NPD7472 Approved
0.8976 High Similarity NPD7993 Clinical (unspecified phase)
0.8938 High Similarity NPD4868 Clinical (unspecified phase)
0.8931 High Similarity NPD2801 Approved
0.8869 High Similarity NPD7808 Phase 3
0.8862 High Similarity NPD6797 Phase 2
0.8834 High Similarity NPD6959 Discontinued
0.881 High Similarity NPD7251 Discontinued
0.8718 High Similarity NPD1511 Approved
0.8704 High Similarity NPD3882 Suspended
0.8683 High Similarity NPD3818 Discontinued
0.8642 High Similarity NPD3817 Phase 2
0.8642 High Similarity NPD8443 Clinical (unspecified phase)
0.8625 High Similarity NPD4380 Phase 2
0.8608 High Similarity NPD1512 Approved
0.8545 High Similarity NPD5494 Approved
0.8538 High Similarity NPD4338 Clinical (unspecified phase)
0.8537 High Similarity NPD4381 Clinical (unspecified phase)
0.8521 High Similarity NPD7804 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD7075 Discontinued
0.8397 Intermediate Similarity NPD1549 Phase 2
0.8344 Intermediate Similarity NPD7411 Suspended
0.8333 Intermediate Similarity NPD6232 Discontinued
0.8313 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8304 Intermediate Similarity NPD5844 Phase 1
0.8294 Intermediate Similarity NPD7473 Discontinued
0.8242 Intermediate Similarity NPD7819 Suspended
0.8242 Intermediate Similarity NPD1465 Phase 2
0.8242 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD2796 Approved
0.8146 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD7768 Phase 2
0.8089 Intermediate Similarity NPD1510 Phase 2
0.8072 Intermediate Similarity NPD6801 Discontinued
0.8057 Intermediate Similarity NPD6559 Discontinued
0.8025 Intermediate Similarity NPD6799 Approved
0.7976 Intermediate Similarity NPD5402 Approved
0.7966 Intermediate Similarity NPD8313 Approved
0.7966 Intermediate Similarity NPD8312 Approved
0.7949 Intermediate Similarity NPD1240 Approved
0.7949 Intermediate Similarity NPD1613 Approved
0.7949 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD3749 Approved
0.7879 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD5403 Approved
0.7861 Intermediate Similarity NPD3926 Phase 2
0.7848 Intermediate Similarity NPD1607 Approved
0.7844 Intermediate Similarity NPD6599 Discontinued
0.7834 Intermediate Similarity NPD943 Approved
0.7806 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD7390 Discontinued
0.776 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7758 Intermediate Similarity NPD5401 Approved
0.7756 Intermediate Similarity NPD3027 Phase 3
0.7746 Intermediate Similarity NPD7199 Phase 2
0.7742 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD7228 Approved
0.7706 Intermediate Similarity NPD8455 Phase 2
0.7701 Intermediate Similarity NPD3787 Discontinued
0.768 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD1247 Approved
0.763 Intermediate Similarity NPD6234 Discontinued
0.763 Intermediate Similarity NPD919 Approved
0.7627 Intermediate Similarity NPD3751 Discontinued
0.7622 Intermediate Similarity NPD3750 Approved
0.7617 Intermediate Similarity NPD8151 Discontinued
0.7607 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD4908 Phase 1
0.7562 Intermediate Similarity NPD230 Phase 1
0.7545 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD4628 Phase 3
0.7515 Intermediate Similarity NPD1653 Approved
0.75 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD1551 Phase 2
0.7485 Intermediate Similarity NPD2935 Discontinued
0.7484 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD6190 Approved
0.7459 Intermediate Similarity NPD7685 Pre-registration
0.7455 Intermediate Similarity NPD2800 Approved
0.7453 Intermediate Similarity NPD447 Suspended
0.7442 Intermediate Similarity NPD37 Approved
0.744 Intermediate Similarity NPD2533 Approved
0.744 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD2534 Approved
0.744 Intermediate Similarity NPD2532 Approved
0.7414 Intermediate Similarity NPD4965 Approved
0.7414 Intermediate Similarity NPD4967 Phase 2
0.7414 Intermediate Similarity NPD4966 Approved
0.7382 Intermediate Similarity NPD6781 Approved
0.7382 Intermediate Similarity NPD6780 Approved
0.7382 Intermediate Similarity NPD6778 Approved
0.7382 Intermediate Similarity NPD6779 Approved
0.7382 Intermediate Similarity NPD6776 Approved
0.7382 Intermediate Similarity NPD6777 Approved
0.7382 Intermediate Similarity NPD6782 Approved
0.7378 Intermediate Similarity NPD6100 Approved
0.7378 Intermediate Similarity NPD6099 Approved
0.7368 Intermediate Similarity NPD3226 Approved
0.736 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7783 Phase 2
0.7358 Intermediate Similarity NPD7698 Approved
0.7358 Intermediate Similarity NPD7697 Approved
0.7358 Intermediate Similarity NPD7696 Phase 3
0.7351 Intermediate Similarity NPD8150 Discontinued
0.7346 Intermediate Similarity NPD1933 Approved
0.7333 Intermediate Similarity NPD2344 Approved
0.732 Intermediate Similarity NPD7870 Phase 2
0.732 Intermediate Similarity NPD7871 Phase 2
0.7317 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD3748 Approved
0.7308 Intermediate Similarity NPD5953 Discontinued
0.7301 Intermediate Similarity NPD6651 Approved
0.7296 Intermediate Similarity NPD7701 Phase 2
0.7296 Intermediate Similarity NPD9494 Approved
0.7268 Intermediate Similarity NPD7240 Approved
0.7268 Intermediate Similarity NPD7435 Discontinued
0.7267 Intermediate Similarity NPD6798 Discontinued
0.7261 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD920 Approved
0.7247 Intermediate Similarity NPD8127 Discontinued
0.7244 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD7266 Discontinued
0.7228 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD4360 Phase 2
0.7211 Intermediate Similarity NPD4363 Phase 3
0.7202 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD7286 Phase 2
0.7188 Intermediate Similarity NPD7700 Phase 2
0.7188 Intermediate Similarity NPD7699 Phase 2
0.7168 Intermediate Similarity NPD7458 Discontinued
0.7168 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD8434 Phase 2
0.716 Intermediate Similarity NPD2309 Approved
0.7157 Intermediate Similarity NPD7584 Approved
0.7151 Intermediate Similarity NPD8054 Approved
0.7151 Intermediate Similarity NPD8053 Approved
0.7143 Intermediate Similarity NPD6832 Phase 2
0.7143 Intermediate Similarity NPD1243 Approved
0.7136 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD7874 Approved
0.7135 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7549 Discontinued
0.7134 Intermediate Similarity NPD1610 Phase 2
0.7128 Intermediate Similarity NPD6823 Phase 2
0.7126 Intermediate Similarity NPD2346 Discontinued
0.712 Intermediate Similarity NPD6535 Approved
0.712 Intermediate Similarity NPD6534 Approved
0.7118 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6233 Phase 2
0.7108 Intermediate Similarity NPD2799 Discontinued
0.7108 Intermediate Similarity NPD7033 Discontinued
0.7101 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD8166 Discontinued
0.71 Intermediate Similarity NPD7801 Approved
0.7092 Intermediate Similarity NPD7680 Approved
0.7072 Intermediate Similarity NPD5242 Approved
0.7066 Intermediate Similarity NPD5406 Approved
0.7066 Intermediate Similarity NPD5405 Approved
0.7066 Intermediate Similarity NPD5408 Approved
0.7066 Intermediate Similarity NPD5404 Approved
0.7063 Intermediate Similarity NPD1203 Approved
0.7062 Intermediate Similarity NPD5353 Approved
0.7056 Intermediate Similarity NPD8319 Approved
0.7056 Intermediate Similarity NPD8320 Phase 1
0.7055 Intermediate Similarity NPD2313 Discontinued
0.7045 Intermediate Similarity NPD6844 Discontinued
0.7033 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD5710 Approved
0.7017 Intermediate Similarity NPD5711 Approved
0.7017 Intermediate Similarity NPD7229 Phase 3
0.7 Intermediate Similarity NPD4287 Approved
0.6989 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7039 Approved
0.6989 Remote Similarity NPD7038 Approved
0.6987 Remote Similarity NPD1548 Phase 1
0.6977 Remote Similarity NPD7213 Phase 3
0.6977 Remote Similarity NPD7212 Phase 2
0.6975 Remote Similarity NPD3018 Phase 2
0.6975 Remote Similarity NPD2861 Phase 2
0.6974 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6957 Remote Similarity NPD7177 Discontinued
0.6951 Remote Similarity NPD3268 Approved

Structure

External Identifiers

PubChem CID   11786419
ChEMBL   CHEMBL448630
ZINC  

Physicochemical Properties

Molecular Weight:  570.15
ALogP:  -2.5056
MLogP:  3.88
XLogP:  2.887
# Rotatable Bonds:  11
Polar Surface Area:  140.98
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  42

Download Data

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