Natural Product: NPC226725

Natural Product ID:  NPC226725
Common Name:   Ganbajunin B
IUPAC Name:   [7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis[(2-phenylacetyl)oxy]dibenzofuran-4-yl] 2-phenylacetate
Synonyms:  
Molecular Formula:   C42H30O10
Standard InCHIKey:  JJDLGUWMMXXQOA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C42H30O10/c43-29-18-16-28(17-19-29)37-39(50-34(46)20-25-10-4-1-5-11-25)41-38(30-23-31(44)32(45)24-33(30)49-41)42(52-36(48)22-27-14-8-3-9-15-27)40(37)51-35(47)21-26-12-6-2-7-13-26/h1-19,23-24,43-45H,20-22H2
Canonical SMILES:  Oc1ccc(cc1)c1c(OC(=O)Cc2ccccc2)c(OC(=O)Cc2ccccc2)c2c(c1OC(=O)Cc1ccccc1)oc1c2cc(c(c1)O)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
NPO22584 Thelephora vialis Species Thelephoraceae Eukaryota PMID[16901696]
NPO5475 Thelephora terrestris Species Thelephoraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT521 Cell Line RBL-2H3 Rattus norvegicus IC50 = 5000 nM 16901696

  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 NPC226725 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
0.9941 High Similarity NPC154527
0.9706 High Similarity NPC47883
0.9588 High Similarity NPC297807
0.9588 High Similarity NPC98546
0.9483 High Similarity NPC248315
0.9412 High Similarity NPC149846
0.9298 High Similarity NPC82217
0.9298 High Similarity NPC476640
0.9298 High Similarity NPC216842
0.929 High Similarity NPC470704
0.9244 High Similarity NPC287243
0.924 High Similarity NPC230619
0.924 High Similarity NPC54098
0.9191 High Similarity NPC49667
0.9191 High Similarity NPC8127
0.9181 High Similarity NPC476641
0.9148 High Similarity NPC71260
0.9128 High Similarity NPC174700
0.9075 High Similarity NPC65885
0.9012 High Similarity NPC280493
0.8966 High Similarity NPC473834
0.8947 High Similarity NPC36320
0.8947 High Similarity NPC45449
0.8944 High Similarity NPC295436
0.8939 High Similarity NPC269625
0.8908 High Similarity NPC476370
0.8902 High Similarity NPC476279
0.8889 High Similarity NPC263092
0.8889 High Similarity NPC1755
0.8889 High Similarity NPC1706
0.8889 High Similarity NPC59295
0.8889 High Similarity NPC39305
0.8876 High Similarity NPC36354
0.8864 High Similarity NPC471841
0.8857 High Similarity NPC476374
0.8851 High Similarity NPC72696
0.8837 High Similarity NPC29411
0.8837 High Similarity NPC280893
0.883 High Similarity NPC238995
0.883 High Similarity NPC272722
0.883 High Similarity NPC312056
0.883 High Similarity NPC84515
0.882 High Similarity NPC475996
0.8817 High Similarity NPC185526
0.8817 High Similarity NPC36077
0.8807 High Similarity NPC99591
0.8793 High Similarity NPC202470
0.8786 High Similarity NPC272560
0.8772 High Similarity NPC231758
0.8772 High Similarity NPC196179
0.8772 High Similarity NPC188486
0.8772 High Similarity NPC34089
0.8757 High Similarity NPC472461
0.8757 High Similarity NPC137100
0.8757 High Similarity NPC24258
0.875 High Similarity NPC261471
0.875 High Similarity NPC117450
0.8743 High Similarity NPC476365
0.8743 High Similarity NPC218533
0.8743 High Similarity NPC78830
0.8736 High Similarity NPC50394
0.8736 High Similarity NPC86477
0.8728 High Similarity NPC169471
0.8728 High Similarity NPC259757
0.8713 High Similarity NPC188967
0.8708 High Similarity NPC475783
0.8703 High Similarity NPC3474
0.8701 High Similarity NPC227906
0.8693 High Similarity NPC158226
0.8693 High Similarity NPC247964
0.8686 High Similarity NPC247136
0.8674 High Similarity NPC469650
0.8671 High Similarity NPC272064
0.8671 High Similarity NPC67959
0.8671 High Similarity NPC133065
0.8667 High Similarity NPC471842
0.8655 High Similarity NPC190487
0.8655 High Similarity NPC287458
0.8655 High Similarity NPC195832
0.8655 High Similarity NPC196879
0.8655 High Similarity NPC16935
0.8655 High Similarity NPC154304
0.8652 High Similarity NPC216307
0.8652 High Similarity NPC164384
0.8644 High Similarity NPC37606
0.8644 High Similarity NPC233956
0.8644 High Similarity NPC310794
0.8636 High Similarity NPC17884
0.8636 High Similarity NPC19273
0.8629 High Similarity NPC247973
0.8629 High Similarity NPC253730
0.8629 High Similarity NPC286230
0.8626 High Similarity NPC73929
0.8626 High Similarity NPC139683
0.8626 High Similarity NPC260521
0.8626 High Similarity NPC174486
0.8626 High Similarity NPC47905
0.8626 High Similarity NPC469649
0.8621 High Similarity NPC39306
0.8619 High Similarity NPC476170
0.8619 High Similarity NPC470416
0.8613 High Similarity NPC174311
0.8605 High Similarity NPC130955
0.8605 High Similarity NPC98892
0.8603 High Similarity NPC77179
0.8603 High Similarity NPC23553
0.8603 High Similarity NPC476773
0.8603 High Similarity NPC265380
0.8602 High Similarity NPC189312
0.8596 High Similarity NPC112954
0.8588 High Similarity NPC28589
0.8588 High Similarity NPC248593
0.8588 High Similarity NPC289396
0.8588 High Similarity NPC212038
0.8588 High Similarity NPC125709
0.8588 High Similarity NPC47386
0.8588 High Similarity NPC292385
0.8588 High Similarity NPC271848
0.8588 High Similarity NPC81332
0.8588 High Similarity NPC262580
0.858 High Similarity NPC125300
0.858 High Similarity NPC186100
0.858 High Similarity NPC99613
0.858 High Similarity NPC49487
0.858 High Similarity NPC165979
0.858 High Similarity NPC163130
0.858 High Similarity NPC41494
0.858 High Similarity NPC216403
0.8579 High Similarity NPC477081
0.8579 High Similarity NPC223534
0.8579 High Similarity NPC477083
0.8579 High Similarity NPC290289
0.8579 High Similarity NPC158214
0.8579 High Similarity NPC240200
0.8571 High Similarity NPC111490
0.8571 High Similarity NPC261623
0.8571 High Similarity NPC277480
0.8571 High Similarity NPC112380
0.8571 High Similarity NPC304322
0.8564 High Similarity NPC297503
0.8564 High Similarity NPC97119
0.8564 High Similarity NPC240508
0.8564 High Similarity NPC135831
0.8564 High Similarity NPC36138
0.8563 High Similarity NPC89131
0.8556 High Similarity NPC324742
0.8556 High Similarity NPC476273
0.8556 High Similarity NPC185275
0.8547 High Similarity NPC115798
0.8547 High Similarity NPC253634
0.8547 High Similarity NPC18607
0.8547 High Similarity NPC288669
0.8547 High Similarity NPC143828
0.8547 High Similarity NPC18772
0.8547 High Similarity NPC25495
0.8547 High Similarity NPC107244
0.8547 High Similarity NPC261004
0.8547 High Similarity NPC154741
0.8547 High Similarity NPC4481
0.8547 High Similarity NPC130894
0.8547 High Similarity NPC300943
0.8547 High Similarity NPC7846
0.8547 High Similarity NPC191459
0.8547 High Similarity NPC176300
0.8547 High Similarity NPC296018
0.8547 High Similarity NPC105242
0.8547 High Similarity NPC193842
0.8547 High Similarity NPC152166
0.8547 High Similarity NPC22472
0.8547 High Similarity NPC204854
0.8547 High Similarity NPC19687
0.8547 High Similarity NPC156955
0.8547 High Similarity NPC9609
0.8539 High Similarity NPC59491
0.8539 High Similarity NPC24748
0.8538 High Similarity NPC45131
0.8533 High Similarity NPC93065
0.8533 High Similarity NPC472720
0.8533 High Similarity NPC201814
0.8533 High Similarity NPC472724
0.8533 High Similarity NPC187632
0.8533 High Similarity NPC160543
0.8533 High Similarity NPC472721
0.8533 High Similarity NPC469652
0.8533 High Similarity NPC31208
0.8531 High Similarity NPC124470
0.8531 High Similarity NPC281835
0.8531 High Similarity NPC180768
0.8531 High Similarity NPC109827
0.8525 High Similarity NPC65489
0.8525 High Similarity NPC475179
0.8523 High Similarity NPC76482
0.8523 High Similarity NPC14662
0.8523 High Similarity NPC234331
0.8523 High Similarity NPC295082
0.8523 High Similarity NPC243877
0.8523 High Similarity NPC473818
0.8516 High Similarity NPC231254
0.8514 High Similarity NPC477840
0.8514 High Similarity NPC142614

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC226725 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
0.8483 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.843 Intermediate Similarity NPD3882 Suspended
0.8415 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8409 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8409 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8409 Intermediate Similarity NPD6166 Phase 2
0.8389 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8382 Intermediate Similarity NPD3749 Approved
0.8324 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8314 Intermediate Similarity NPD2801 Approved
0.8295 Intermediate Similarity NPD6232 Discontinued
0.8268 Intermediate Similarity NPD5844 Phase 1
0.8266 Intermediate Similarity NPD3817 Phase 2
0.8258 Intermediate Similarity NPD7473 Discontinued
0.8212 Intermediate Similarity NPD3818 Discontinued
0.8208 Intermediate Similarity NPD1465 Phase 2
0.8118 Intermediate Similarity NPD1512 Approved
0.8057 Intermediate Similarity NPD5402 Approved
0.8046 Intermediate Similarity NPD1934 Approved
0.8045 Intermediate Similarity NPD3926 Phase 2
0.8023 Intermediate Similarity NPD919 Approved
0.8 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD1511 Approved
0.7989 Intermediate Similarity NPD7808 Phase 3
0.7978 Intermediate Similarity NPD5494 Approved
0.7978 Intermediate Similarity NPD6797 Phase 2
0.7966 Intermediate Similarity NPD7075 Discontinued
0.7937 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD7251 Discontinued
0.7935 Intermediate Similarity NPD6559 Discontinued
0.7933 Intermediate Similarity NPD1247 Approved
0.7933 Intermediate Similarity NPD6959 Discontinued
0.7931 Intermediate Similarity NPD6599 Discontinued
0.7923 Intermediate Similarity NPD7074 Phase 3
0.7898 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD7054 Approved
0.7826 Intermediate Similarity NPD7472 Approved
0.7809 Intermediate Similarity NPD7768 Phase 2
0.7797 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD6799 Approved
0.7766 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7754 Intermediate Similarity NPD8312 Approved
0.7754 Intermediate Similarity NPD8313 Approved
0.774 Intermediate Similarity NPD6801 Discontinued
0.7697 Intermediate Similarity NPD7819 Suspended
0.7684 Intermediate Similarity NPD7411 Suspended
0.7676 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD5403 Approved
0.765 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD4380 Phase 2
0.7586 Intermediate Similarity NPD7390 Discontinued
0.7571 Intermediate Similarity NPD3226 Approved
0.7556 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD5401 Approved
0.7539 Intermediate Similarity NPD8434 Phase 2
0.7527 Intermediate Similarity NPD3751 Discontinued
0.7514 Intermediate Similarity NPD3750 Approved
0.75 Intermediate Similarity NPD3787 Discontinued
0.7471 Intermediate Similarity NPD6190 Approved
0.7461 Intermediate Similarity NPD4287 Approved
0.7458 Intermediate Similarity NPD920 Approved
0.7457 Intermediate Similarity NPD1243 Approved
0.745 Intermediate Similarity NPD7435 Discontinued
0.7446 Intermediate Similarity NPD7199 Phase 2
0.7443 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD2534 Approved
0.7443 Intermediate Similarity NPD2533 Approved
0.7443 Intermediate Similarity NPD2532 Approved
0.7442 Intermediate Similarity NPD2344 Approved
0.7438 Intermediate Similarity NPD8151 Discontinued
0.7432 Intermediate Similarity NPD6234 Discontinued
0.7399 Intermediate Similarity NPD1549 Phase 2
0.7396 Intermediate Similarity NPD943 Approved
0.7358 Intermediate Similarity NPD8150 Discontinued
0.7353 Intermediate Similarity NPD447 Suspended
0.7341 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD7228 Approved
0.733 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD7870 Phase 2
0.7327 Intermediate Similarity NPD7871 Phase 2
0.7326 Intermediate Similarity NPD1510 Phase 2
0.7317 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7874 Approved
0.731 Intermediate Similarity NPD1607 Approved
0.73 Intermediate Similarity NPD6779 Approved
0.73 Intermediate Similarity NPD6781 Approved
0.73 Intermediate Similarity NPD6777 Approved
0.73 Intermediate Similarity NPD6776 Approved
0.73 Intermediate Similarity NPD6780 Approved
0.73 Intermediate Similarity NPD6778 Approved
0.73 Intermediate Similarity NPD6782 Approved
0.7288 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD2935 Discontinued
0.7283 Intermediate Similarity NPD1551 Phase 2
0.7283 Intermediate Similarity NPD5408 Approved
0.7283 Intermediate Similarity NPD5404 Approved
0.7283 Intermediate Similarity NPD5405 Approved
0.7283 Intermediate Similarity NPD5406 Approved
0.7282 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD7783 Phase 2
0.7273 Intermediate Similarity NPD2309 Approved
0.7253 Intermediate Similarity NPD37 Approved
0.7247 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD4966 Approved
0.7228 Intermediate Similarity NPD4965 Approved
0.7228 Intermediate Similarity NPD4967 Phase 2
0.7225 Intermediate Similarity NPD3748 Approved
0.7225 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1653 Approved
0.7216 Intermediate Similarity NPD4628 Phase 3
0.72 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD1240 Approved
0.7192 Intermediate Similarity NPD7698 Approved
0.7192 Intermediate Similarity NPD7697 Approved
0.7192 Intermediate Similarity NPD7696 Phase 3
0.7184 Intermediate Similarity NPD2796 Approved
0.7159 Intermediate Similarity NPD2800 Approved
0.7159 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD230 Phase 1
0.7151 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2346 Discontinued
0.7136 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD7701 Phase 2
0.712 Intermediate Similarity NPD8455 Phase 2
0.7098 Intermediate Similarity NPD7685 Pre-registration
0.7088 Intermediate Similarity NPD7458 Discontinued
0.7074 Intermediate Similarity NPD8127 Discontinued
0.7059 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD6535 Approved
0.705 Intermediate Similarity NPD6534 Approved
0.7033 Intermediate Similarity NPD7801 Approved
0.703 Intermediate Similarity NPD7700 Phase 2
0.703 Intermediate Similarity NPD7699 Phase 2
0.7029 Intermediate Similarity NPD2799 Discontinued
0.7029 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD7003 Approved
0.7 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.6995 Remote Similarity NPD5808 Clinical (unspecified phase)
0.699 Remote Similarity NPD8320 Phase 1
0.699 Remote Similarity NPD8319 Approved
0.6982 Remote Similarity NPD1203 Approved
0.6979 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6977 Remote Similarity NPD7907 Approved
0.6977 Remote Similarity NPD3764 Approved
0.6977 Remote Similarity NPD2313 Discontinued
0.6974 Remote Similarity NPD7549 Discontinued
0.6959 Remote Similarity NPD5953 Discontinued
0.6949 Remote Similarity NPD1471 Phase 3
0.6947 Remote Similarity NPD5711 Approved
0.6947 Remote Similarity NPD5710 Approved
0.6947 Remote Similarity NPD7229 Phase 3
0.6936 Remote Similarity NPD6233 Phase 2
0.6927 Remote Similarity NPD8166 Discontinued
0.6923 Remote Similarity NPD7240 Approved
0.6897 Remote Similarity NPD1613 Approved
0.6897 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6099 Approved
0.6893 Remote Similarity NPD6100 Approved
0.6893 Remote Similarity NPD6823 Phase 2
0.6891 Remote Similarity NPD7177 Discontinued
0.6879 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6879 Remote Similarity NPD6798 Discontinued
0.6878 Remote Similarity NPD7501 Clinical (unspecified phase)
0.686 Remote Similarity NPD7680 Approved
0.6857 Remote Similarity NPD1933 Approved
0.6856 Remote Similarity NPD7286 Phase 2
0.6854 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6836 Remote Similarity NPD4308 Phase 3
0.6835 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6833 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6823 Remote Similarity NPD5242 Approved
0.6809 Remote Similarity NPD2296 Approved
0.6806 Remote Similarity NPD4665 Approved
0.6806 Remote Similarity NPD4111 Phase 1
0.6805 Remote Similarity NPD9269 Phase 2
0.6789 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6788 Remote Similarity NPD2403 Approved
0.6788 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6782 Remote Similarity NPD3268 Approved
0.6782 Remote Similarity NPD411 Approved
0.6763 Remote Similarity NPD6832 Phase 2
0.6761 Remote Similarity NPD6355 Discontinued
0.6751 Remote Similarity NPD7039 Approved
0.6751 Remote Similarity NPD7038 Approved
0.6739 Remote Similarity NPD6273 Approved
0.6724 Remote Similarity NPD3027 Phase 3
0.6724 Remote Similarity NPD7095 Approved
0.672 Remote Similarity NPD4288 Approved
0.6718 Remote Similarity NPD2163 Approved
0.6717 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6706 Remote Similarity NPD9717 Approved
0.6703 Remote Similarity NPD2354 Approved
0.6686 Remote Similarity NPD2797 Approved

Structure

External Identifiers

PubChem CID   44418271
ChEMBL   CHEMBL384074
ZINC  

Physicochemical Properties

Molecular Weight:  694.18
ALogP:  -1.7039
MLogP:  4.98
XLogP:  12.167
# Rotatable Bonds:  16
Polar Surface Area:  152.73
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  7
# Heavy Atoms:  52

Download Data

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