Natural Product: NPC90497

Natural Product ID:  NPC90497
Common Name:   Mucusisoflavone A
IUPAC Name:   3-[3-[(E)-2-[(1S,2S)-2-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
Synonyms:   Mucusisoflavone A
Molecular Formula:   C40H32O10
Standard InCHIKey:  UXLMHNXEKOQLBQ-DCAFODOZSA-N
Standard InCHI:  InChI=1S/C40H32O10/c1-20-7-9-40(2,10-8-23-12-21(3-5-30(23)43)27-18-49-34-16-24(41)14-32(45)36(34)38(27)47)29(11-20)26-13-22(4-6-31(26)44)28-19-50-35-17-25(42)15-33(46)37(35)39(28)48/h3-6,8,10-19,29,41-46H,7,9H2,1-2H3/b10-8+/t29-,40+/m1/s1
Canonical SMILES:  Oc1cc(O)c2c(c1)occ(c2=O)c1ccc(c(c1)/C=C/[C@]1(C)CCC(=C[C@@H]1c1cc(ccc1O)c1coc2c(c1=O)c(O)cc(c2)O)C)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
NPO13906 Ficus mucuso Species Moraceae Eukaryota figs Tongolo-Yaoundé, in the Central Region of Cameroon 2008-JUN PMID[21619045]
NPO14750 Usnea japonica Species Parmeliaceae Eukaryota UNPD*
NPO13906 Ficus mucuso Species Moraceae Eukaryota fruit PMID[21619045]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 98.7 % 21619045
NPT2 Others Unspecified IC50 = 680 nM 21619045
NPT2 Others Unspecified Ratio IC50 = 71 21619045

  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 NPC90497 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
0.9733 High Similarity NPC324447
0.9477 High Similarity NPC56049
0.9477 High Similarity NPC54830
0.9419 High Similarity NPC195136
0.9419 High Similarity NPC121647
0.9412 High Similarity NPC79375
0.9412 High Similarity NPC37253
0.9408 High Similarity NPC43345
0.94 High Similarity NPC152233
0.9355 High Similarity NPC105584
0.9342 High Similarity NPC476552
0.9342 High Similarity NPC476551
0.9342 High Similarity NPC476553
0.9333 High Similarity NPC475348
0.9333 High Similarity NPC261271
0.929 High Similarity NPC208258
0.9231 High Similarity NPC15815
0.92 High Similarity NPC471523
0.92 High Similarity NPC471524
0.92 High Similarity NPC282957
0.92 High Similarity NPC471473
0.92 High Similarity NPC194949
0.9172 High Similarity NPC226462
0.9172 High Similarity NPC98023
0.9167 High Similarity NPC257166
0.9167 High Similarity NPC1796
0.9161 High Similarity NPC158027
0.9161 High Similarity NPC100049
0.9161 High Similarity NPC265624
0.9161 High Similarity NPC205026
0.9161 High Similarity NPC121649
0.9161 High Similarity NPC248739
0.9161 High Similarity NPC215203
0.9161 High Similarity NPC186227
0.9161 High Similarity NPC52611
0.9161 High Similarity NPC150908
0.9161 High Similarity NPC159707
0.9161 High Similarity NPC14606
0.9125 High Similarity NPC251336
0.9108 High Similarity NPC51247
0.9097 High Similarity NPC72425
0.9097 High Similarity NPC71061
0.9097 High Similarity NPC290830
0.9097 High Similarity NPC121568
0.9097 High Similarity NPC303485
0.9097 High Similarity NPC194593
0.9073 High Similarity NPC476055
0.9067 High Similarity NPC297600
0.9051 High Similarity NPC42965
0.9026 High Similarity NPC188403
0.9 High Similarity NPC26238
0.8987 High Similarity NPC55443
0.8987 High Similarity NPC18699
0.8981 High Similarity NPC32867
0.8981 High Similarity NPC192587
0.8968 High Similarity NPC138299
0.8968 High Similarity NPC222713
0.8968 High Similarity NPC67322
0.8968 High Similarity NPC178484
0.8968 High Similarity NPC111112
0.8961 High Similarity NPC291746
0.8961 High Similarity NPC288840
0.8938 High Similarity NPC473012
0.8933 High Similarity NPC215311
0.8933 High Similarity NPC172250
0.8933 High Similarity NPC213659
0.8933 High Similarity NPC265178
0.8933 High Similarity NPC48624
0.8933 High Similarity NPC259166
0.8933 High Similarity NPC11056
0.8933 High Similarity NPC144118
0.8933 High Similarity NPC204985
0.8933 High Similarity NPC80962
0.8933 High Similarity NPC326109
0.8933 High Similarity NPC219917
0.8924 High Similarity NPC324358
0.8924 High Similarity NPC322459
0.8924 High Similarity NPC318527
0.8924 High Similarity NPC323627
0.8924 High Similarity NPC475184
0.8917 High Similarity NPC182555
0.8917 High Similarity NPC66441
0.891 High Similarity NPC78324
0.891 High Similarity NPC174086
0.891 High Similarity NPC115601
0.891 High Similarity NPC39154
0.891 High Similarity NPC208011
0.8902 High Similarity NPC477529
0.8889 High Similarity NPC25844
0.8882 High Similarity NPC469395
0.8882 High Similarity NPC473009
0.8875 High Similarity NPC189552
0.8875 High Similarity NPC61382
0.8875 High Similarity NPC273467
0.8875 High Similarity NPC312273
0.8875 High Similarity NPC103816
0.8875 High Similarity NPC301256
0.8874 High Similarity NPC268204
0.8874 High Similarity NPC55832
0.8874 High Similarity NPC232021
0.8874 High Similarity NPC40118
0.8874 High Similarity NPC469404
0.8874 High Similarity NPC26051
0.8874 High Similarity NPC126534
0.8874 High Similarity NPC52789
0.8868 High Similarity NPC51760
0.8868 High Similarity NPC295090
0.8867 High Similarity NPC295384
0.8867 High Similarity NPC283429
0.8861 High Similarity NPC69531
0.8839 High Similarity NPC3642
0.8834 High Similarity NPC253730
0.8834 High Similarity NPC286230
0.8831 High Similarity NPC97716
0.8831 High Similarity NPC24673
0.8831 High Similarity NPC79469
0.8831 High Similarity NPC237635
0.8831 High Similarity NPC201731
0.8831 High Similarity NPC104406
0.8827 High Similarity NPC473010
0.8827 High Similarity NPC469664
0.8812 High Similarity NPC470342
0.8812 High Similarity NPC312993
0.8812 High Similarity NPC472060
0.8812 High Similarity NPC186325
0.8812 High Similarity NPC472052
0.8808 High Similarity NPC101366
0.8808 High Similarity NPC253822
0.8805 High Similarity NPC271741
0.8805 High Similarity NPC287789
0.88 High Similarity NPC243528
0.88 High Similarity NPC251681
0.8797 High Similarity NPC254351
0.8797 High Similarity NPC226656
0.8797 High Similarity NPC134171
0.8797 High Similarity NPC66508
0.8797 High Similarity NPC300668
0.8774 High Similarity NPC6511
0.8774 High Similarity NPC122894
0.8774 High Similarity NPC266572
0.8773 High Similarity NPC120857
0.8773 High Similarity NPC17274
0.8773 High Similarity NPC85047
0.8766 High Similarity NPC110882
0.8766 High Similarity NPC271944
0.8766 High Similarity NPC85393
0.8766 High Similarity NPC476088
0.8766 High Similarity NPC474161
0.8758 High Similarity NPC11700
0.8758 High Similarity NPC476178
0.8758 High Similarity NPC472261
0.8758 High Similarity NPC117836
0.8758 High Similarity NPC475705
0.8758 High Similarity NPC51887
0.875 High Similarity NPC177650
0.875 High Similarity NPC324736
0.8742 High Similarity NPC61112
0.8742 High Similarity NPC198489
0.8742 High Similarity NPC477956
0.8742 High Similarity NPC309648
0.8733 High Similarity NPC322301
0.8733 High Similarity NPC23870
0.8733 High Similarity NPC255801
0.8733 High Similarity NPC181124
0.8733 High Similarity NPC162680
0.8733 High Similarity NPC116632
0.8733 High Similarity NPC303644
0.8733 High Similarity NPC7013
0.8733 High Similarity NPC209560
0.8733 High Similarity NPC294409
0.8733 High Similarity NPC153979
0.8726 High Similarity NPC305965
0.8718 High Similarity NPC132345
0.8718 High Similarity NPC471114
0.8712 High Similarity NPC169471
0.871 High Similarity NPC10990
0.871 High Similarity NPC300988
0.8701 High Similarity NPC257236
0.8701 High Similarity NPC319752
0.8701 High Similarity NPC328623
0.8701 High Similarity NPC271288
0.8701 High Similarity NPC278175
0.8696 High Similarity NPC472618
0.8679 High Similarity NPC258474
0.8679 High Similarity NPC201227
0.8675 High Similarity NPC55162
0.8675 High Similarity NPC12175
0.8675 High Similarity NPC477055
0.8675 High Similarity NPC278323
0.8675 High Similarity NPC477056
0.8675 High Similarity NPC90665
0.8675 High Similarity NPC309154
0.8675 High Similarity NPC279668
0.8675 High Similarity NPC21350
0.8667 High Similarity NPC24394
0.8667 High Similarity NPC213603
0.8667 High Similarity NPC249606
0.8667 High Similarity NPC274109
0.8667 High Similarity NPC12165
0.8667 High Similarity NPC66349

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC90497 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
0.8917 High Similarity NPD8443 Clinical (unspecified phase)
0.8712 High Similarity NPD7852 Clinical (unspecified phase)
0.8701 High Similarity NPD7410 Clinical (unspecified phase)
0.8625 High Similarity NPD7768 Phase 2
0.86 High Similarity NPD1510 Phase 2
0.8544 High Similarity NPD4380 Phase 2
0.8528 High Similarity NPD6959 Discontinued
0.8491 Intermediate Similarity NPD7411 Suspended
0.8462 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8385 Intermediate Similarity NPD7819 Suspended
0.8344 Intermediate Similarity NPD1607 Approved
0.8344 Intermediate Similarity NPD6651 Approved
0.8333 Intermediate Similarity NPD1240 Approved
0.8232 Intermediate Similarity NPD7075 Discontinued
0.8214 Intermediate Similarity NPD7473 Discontinued
0.8194 Intermediate Similarity NPD1549 Phase 2
0.8182 Intermediate Similarity NPD2796 Approved
0.8165 Intermediate Similarity NPD7390 Discontinued
0.8137 Intermediate Similarity NPD7458 Discontinued
0.8129 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8049 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8049 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8036 Intermediate Similarity NPD6232 Discontinued
0.8012 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD6801 Discontinued
0.7975 Intermediate Similarity NPD6599 Discontinued
0.7975 Intermediate Similarity NPD7003 Approved
0.7975 Intermediate Similarity NPD3750 Approved
0.7941 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD6166 Phase 2
0.7911 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7911 Intermediate Similarity NPD2800 Approved
0.7904 Intermediate Similarity NPD3749 Approved
0.7848 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD1934 Approved
0.7765 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD2801 Approved
0.7722 Intermediate Similarity NPD2935 Discontinued
0.7716 Intermediate Similarity NPD1511 Approved
0.7716 Intermediate Similarity NPD6799 Approved
0.7706 Intermediate Similarity NPD5494 Approved
0.7701 Intermediate Similarity NPD7054 Approved
0.7684 Intermediate Similarity NPD8313 Approved
0.7684 Intermediate Similarity NPD8312 Approved
0.7683 Intermediate Similarity NPD5403 Approved
0.768 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD2533 Approved
0.7669 Intermediate Similarity NPD2534 Approved
0.7669 Intermediate Similarity NPD2532 Approved
0.7658 Intermediate Similarity NPD3748 Approved
0.7657 Intermediate Similarity NPD7074 Phase 3
0.7657 Intermediate Similarity NPD7472 Approved
0.764 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD3882 Suspended
0.7633 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD7808 Phase 3
0.7622 Intermediate Similarity NPD1512 Approved
0.7614 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD1551 Phase 2
0.761 Intermediate Similarity NPD5408 Approved
0.761 Intermediate Similarity NPD5406 Approved
0.761 Intermediate Similarity NPD5405 Approved
0.761 Intermediate Similarity NPD6100 Approved
0.761 Intermediate Similarity NPD5404 Approved
0.761 Intermediate Similarity NPD6099 Approved
0.76 Intermediate Similarity NPD5844 Phase 1
0.7597 Intermediate Similarity NPD4908 Phase 1
0.7582 Intermediate Similarity NPD2798 Approved
0.7574 Intermediate Similarity NPD3817 Phase 2
0.7571 Intermediate Similarity NPD7251 Discontinued
0.7571 Intermediate Similarity NPD6559 Discontinued
0.7561 Intermediate Similarity NPD5401 Approved
0.7547 Intermediate Similarity NPD2799 Discontinued
0.7543 Intermediate Similarity NPD3818 Discontinued
0.7531 Intermediate Similarity NPD4628 Phase 3
0.7514 Intermediate Similarity NPD6797 Phase 2
0.7514 Intermediate Similarity NPD5953 Discontinued
0.7514 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3226 Approved
0.7471 Intermediate Similarity NPD5402 Approved
0.747 Intermediate Similarity NPD920 Approved
0.7469 Intermediate Similarity NPD1243 Approved
0.7455 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD2344 Approved
0.7439 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD3972 Approved
0.7401 Intermediate Similarity NPD7286 Phase 2
0.7365 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD8150 Discontinued
0.7358 Intermediate Similarity NPD8151 Discontinued
0.7349 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7871 Phase 2
0.733 Intermediate Similarity NPD7870 Phase 2
0.7317 Intermediate Similarity NPD8166 Discontinued
0.7312 Intermediate Similarity NPD4360 Phase 2
0.7312 Intermediate Similarity NPD4363 Phase 3
0.731 Intermediate Similarity NPD8455 Phase 2
0.7296 Intermediate Similarity NPD943 Approved
0.7278 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD2313 Discontinued
0.7277 Intermediate Similarity NPD7698 Approved
0.7277 Intermediate Similarity NPD7697 Approved
0.7277 Intermediate Similarity NPD7696 Phase 3
0.7273 Intermediate Similarity NPD2309 Approved
0.7268 Intermediate Similarity NPD8434 Phase 2
0.7261 Intermediate Similarity NPD6832 Phase 2
0.7238 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD6780 Approved
0.7211 Intermediate Similarity NPD6777 Approved
0.7211 Intermediate Similarity NPD6776 Approved
0.7211 Intermediate Similarity NPD6779 Approved
0.7211 Intermediate Similarity NPD6781 Approved
0.7211 Intermediate Similarity NPD6778 Approved
0.7211 Intermediate Similarity NPD6782 Approved
0.7202 Intermediate Similarity NPD6273 Approved
0.7188 Intermediate Similarity NPD7435 Discontinued
0.7181 Intermediate Similarity NPD4361 Phase 2
0.7181 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD1470 Approved
0.7175 Intermediate Similarity NPD3926 Phase 2
0.717 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD3268 Approved
0.7151 Intermediate Similarity NPD7177 Discontinued
0.7143 Intermediate Similarity NPD919 Approved
0.7143 Intermediate Similarity NPD5124 Phase 1
0.7143 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1201 Approved
0.7143 Intermediate Similarity NPD1610 Phase 2
0.7134 Intermediate Similarity NPD2346 Discontinued
0.7134 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7701 Phase 2
0.712 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD5710 Approved
0.7119 Intermediate Similarity NPD5711 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
0.707 Intermediate Similarity NPD2797 Approved
0.707 Intermediate Similarity NPD1203 Approved
0.7069 Intermediate Similarity NPD4288 Approved
0.7063 Intermediate Similarity NPD3764 Approved
0.7062 Intermediate Similarity NPD1247 Approved
0.7056 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7874 Approved
0.7056 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD37 Approved
0.7048 Intermediate Similarity NPD2654 Approved
0.7047 Intermediate Similarity NPD6823 Phase 2
0.7039 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD7700 Phase 2
0.7016 Intermediate Similarity NPD7699 Phase 2
0.7012 Intermediate Similarity NPD7033 Discontinued
0.7012 Intermediate Similarity NPD4308 Phase 3
0.7011 Intermediate Similarity NPD1465 Phase 2
0.7005 Intermediate Similarity NPD4287 Approved
0.6994 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1548 Phase 1
0.699 Remote Similarity NPD7584 Approved
0.6983 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6974 Remote Similarity NPD8320 Phase 1
0.6974 Remote Similarity NPD8319 Approved
0.6971 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6966 Remote Similarity NPD7199 Phase 2
0.6966 Remote Similarity NPD8127 Discontinued
0.6962 Remote Similarity NPD1164 Approved
0.6961 Remote Similarity NPD7228 Approved
0.6961 Remote Similarity NPD3751 Discontinued
0.6954 Remote Similarity NPD7577 Discontinued
0.6949 Remote Similarity NPD6234 Discontinued
0.6948 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6534 Approved
0.6947 Remote Similarity NPD6535 Approved
0.6941 Remote Similarity NPD7447 Phase 1
0.6935 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6935 Remote Similarity NPD7783 Phase 2
0.6932 Remote Similarity NPD4965 Approved
0.6932 Remote Similarity NPD4967 Phase 2
0.6932 Remote Similarity NPD4966 Approved
0.6928 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6902 Remote Similarity NPD6104 Discontinued
0.6899 Remote Similarity NPD1876 Approved
0.6899 Remote Similarity NPD3225 Approved
0.6894 Remote Similarity NPD4625 Phase 3
0.6889 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6885 Remote Similarity NPD1729 Discontinued
0.6883 Remote Similarity NPD9545 Approved
0.6882 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6879 Remote Similarity NPD9717 Approved

Structure

External Identifiers

PubChem CID   53344646
ChEMBL   CHEMBL1812483
ZINC  

Physicochemical Properties

Molecular Weight:  672.20
ALogP:  -2.3177
MLogP:  4.76
XLogP:  5.66
# Rotatable Bonds:  13
Polar Surface Area:  173.98
# H-Bond Aceptor:  2
# H-Bond Donor:  6
# Rings:  7
# Heavy Atoms:  50

Download Data

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