Natural Product: NPC324447

Natural Product ID:  NPC324447
Common Name:   Mucusisoflavone C
IUPAC Name:   8-[1-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-3-methylbut-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Synonyms:   Mucusisoflavone C
Molecular Formula:   C40H34O10
Standard InCHIKey:  HCKWMBTVENMFOU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C40H34O10/c1-19(2)5-6-23-12-21(7-9-29(23)42)28-18-50-40-35(32(45)16-33(46)37(40)39(28)48)26(11-20(3)4)25-13-22(8-10-30(25)43)27-17-49-34-15-24(41)14-31(44)36(34)38(27)47/h5,7-18,26,41-46H,6H2,1-4H3
Canonical SMILES:  CC(=CC(c1c(O)cc(c2c1occ(c2=O)c1ccc(c(c1)CC=C(C)C)O)O)c1cc(ccc1O)c1coc2c(c1=O)c(O)cc(c2)O)C
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]
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
NPT1850 Individual Protein Enoyl-ACP reductase Plasmodium falciparum Inhibition = 89.1 % 21619045
NPT1850 Individual Protein Enoyl-ACP reductase Plasmodium falciparum IC50 = 7690 nM 21619045
NPT2 Others Unspecified Inhibition = 94 % 21619045
NPT2 Others Unspecified IC50 = 3080 nM 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 NPC324447 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 NPC90497
0.9669 High Similarity NPC121647
0.9664 High Similarity NPC79375
0.9664 High Similarity NPC37253
0.9662 High Similarity NPC43345
0.9658 High Similarity NPC152233
0.9595 High Similarity NPC476553
0.9595 High Similarity NPC476552
0.9595 High Similarity NPC476551
0.9589 High Similarity NPC475348
0.9589 High Similarity NPC261271
0.9536 High Similarity NPC208258
0.9474 High Similarity NPC15815
0.947 High Similarity NPC56049
0.947 High Similarity NPC54830
0.9452 High Similarity NPC471524
0.9452 High Similarity NPC471473
0.9452 High Similarity NPC471523
0.9452 High Similarity NPC282957
0.9452 High Similarity NPC194949
0.9412 High Similarity NPC98023
0.9412 High Similarity NPC195136
0.9412 High Similarity NPC226462
0.9408 High Similarity NPC257166
0.9408 High Similarity NPC1796
0.9404 High Similarity NPC265624
0.9404 High Similarity NPC186227
0.9404 High Similarity NPC159707
0.9404 High Similarity NPC215203
0.9404 High Similarity NPC150908
0.9404 High Similarity NPC100049
0.9404 High Similarity NPC158027
0.9404 High Similarity NPC121649
0.9404 High Similarity NPC248739
0.9404 High Similarity NPC52611
0.9404 High Similarity NPC205026
0.9404 High Similarity NPC14606
0.9346 High Similarity NPC51247
0.9346 High Similarity NPC105584
0.9338 High Similarity NPC121568
0.9338 High Similarity NPC194593
0.9338 High Similarity NPC72425
0.9338 High Similarity NPC71061
0.9338 High Similarity NPC303485
0.9338 High Similarity NPC290830
0.9286 High Similarity NPC42965
0.9247 High Similarity NPC26238
0.9221 High Similarity NPC18699
0.9221 High Similarity NPC55443
0.9216 High Similarity NPC32867
0.9205 High Similarity NPC111112
0.9205 High Similarity NPC138299
0.9205 High Similarity NPC222713
0.9205 High Similarity NPC178484
0.9205 High Similarity NPC67322
0.92 High Similarity NPC288840
0.92 High Similarity NPC291746
0.9178 High Similarity NPC144118
0.9178 High Similarity NPC80962
0.9178 High Similarity NPC219917
0.9178 High Similarity NPC213659
0.9178 High Similarity NPC204985
0.9178 High Similarity NPC326109
0.9178 High Similarity NPC259166
0.9178 High Similarity NPC172250
0.9178 High Similarity NPC215311
0.9178 High Similarity NPC48624
0.9167 High Similarity NPC473012
0.9156 High Similarity NPC322459
0.9156 High Similarity NPC323627
0.9156 High Similarity NPC324358
0.9156 High Similarity NPC475184
0.9156 High Similarity NPC318527
0.915 High Similarity NPC66441
0.915 High Similarity NPC182555
0.9145 High Similarity NPC115601
0.9145 High Similarity NPC208011
0.9145 High Similarity NPC39154
0.9145 High Similarity NPC174086
0.9145 High Similarity NPC78324
0.9128 High Similarity NPC25844
0.9116 High Similarity NPC268204
0.9116 High Similarity NPC52789
0.9116 High Similarity NPC26051
0.9116 High Similarity NPC469404
0.9116 High Similarity NPC55832
0.9114 High Similarity NPC251336
0.911 High Similarity NPC295384
0.911 High Similarity NPC283429
0.9108 High Similarity NPC473009
0.9103 High Similarity NPC312273
0.9103 High Similarity NPC301256
0.9097 High Similarity NPC295090
0.9091 High Similarity NPC69531
0.9073 High Similarity NPC3642
0.9067 High Similarity NPC201731
0.9067 High Similarity NPC79469
0.9067 High Similarity NPC24673
0.9067 High Similarity NPC97716
0.9067 High Similarity NPC104406
0.9067 High Similarity NPC237635
0.906 High Similarity NPC476055
0.9054 High Similarity NPC297600
0.9051 High Similarity NPC473010
0.9048 High Similarity NPC253822
0.9048 High Similarity NPC101366
0.9041 High Similarity NPC251681
0.9041 High Similarity NPC243528
0.9032 High Similarity NPC287789
0.9032 High Similarity NPC271741
0.9026 High Similarity NPC254351
0.9026 High Similarity NPC134171
0.9026 High Similarity NPC300668
0.9013 High Similarity NPC188403
0.9007 High Similarity NPC6511
0.9007 High Similarity NPC122894
0.9007 High Similarity NPC266572
0.9 High Similarity NPC476088
0.9 High Similarity NPC474161
0.8993 High Similarity NPC117836
0.8993 High Similarity NPC51887
0.8993 High Similarity NPC476178
0.8993 High Similarity NPC475705
0.8981 High Similarity NPC189552
0.8981 High Similarity NPC273467
0.898 High Similarity NPC477956
0.8974 High Similarity NPC51760
0.8973 High Similarity NPC153979
0.8973 High Similarity NPC322301
0.8973 High Similarity NPC162680
0.8973 High Similarity NPC209560
0.8973 High Similarity NPC181124
0.8973 High Similarity NPC7013
0.8973 High Similarity NPC294409
0.8973 High Similarity NPC116632
0.8973 High Similarity NPC303644
0.8973 High Similarity NPC255801
0.8968 High Similarity NPC198489
0.8968 High Similarity NPC192587
0.8968 High Similarity NPC61112
0.8968 High Similarity NPC309648
0.8947 High Similarity NPC132345
0.8933 High Similarity NPC257236
0.8933 High Similarity NPC328623
0.8933 High Similarity NPC278175
0.8933 High Similarity NPC319752
0.8933 High Similarity NPC271288
0.8931 High Similarity NPC469664
0.8919 High Similarity NPC265178
0.8919 High Similarity NPC11056
0.8917 High Similarity NPC470342
0.8917 High Similarity NPC312993
0.8917 High Similarity NPC472052
0.8917 High Similarity NPC472060
0.8917 High Similarity NPC186325
0.8912 High Similarity NPC90665
0.8912 High Similarity NPC278323
0.8912 High Similarity NPC279668
0.8912 High Similarity NPC21350
0.8912 High Similarity NPC309154
0.8912 High Similarity NPC12175
0.8912 High Similarity NPC55162
0.8904 High Similarity NPC41461
0.8904 High Similarity NPC477242
0.8904 High Similarity NPC477244
0.8904 High Similarity NPC1486
0.8904 High Similarity NPC477243
0.8904 High Similarity NPC25287
0.8904 High Similarity NPC213603
0.8904 High Similarity NPC168105
0.8904 High Similarity NPC249606
0.8904 High Similarity NPC12165
0.8904 High Similarity NPC98115
0.8904 High Similarity NPC66349
0.8904 High Similarity NPC186838
0.8904 High Similarity NPC24394
0.8904 High Similarity NPC150399
0.8904 High Similarity NPC274109
0.8903 High Similarity NPC201227
0.8903 High Similarity NPC66508
0.8903 High Similarity NPC226656
0.8903 High Similarity NPC258474
0.8889 High Similarity NPC471115
0.8889 High Similarity NPC29777
0.8889 High Similarity NPC477529
0.8882 High Similarity NPC161191
0.8882 High Similarity NPC132592
0.8882 High Similarity NPC189087
0.8882 High Similarity NPC160821
0.8882 High Similarity NPC321623
0.8882 High Similarity NPC145467
0.8882 High Similarity NPC39195
0.8874 High Similarity NPC470131
0.8874 High Similarity NPC470133
0.8874 High Similarity NPC470134
0.8874 High Similarity NPC109183
0.8874 High Similarity NPC228779
0.8874 High Similarity NPC477955
0.8874 High Similarity NPC470132
0.8874 High Similarity NPC473078

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC324447 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
0.915 High Similarity NPD8443 Clinical (unspecified phase)
0.8933 High Similarity NPD7410 Clinical (unspecified phase)
0.8931 High Similarity NPD7852 Clinical (unspecified phase)
0.8846 High Similarity NPD7768 Phase 2
0.8836 High Similarity NPD1510 Phase 2
0.8766 High Similarity NPD4380 Phase 2
0.871 High Similarity NPD7411 Suspended
0.8684 High Similarity NPD4378 Clinical (unspecified phase)
0.8625 High Similarity NPD6959 Discontinued
0.8599 High Similarity NPD7819 Suspended
0.8562 High Similarity NPD1240 Approved
0.8446 Intermediate Similarity NPD1607 Approved
0.8438 Intermediate Similarity NPD7075 Discontinued
0.8411 Intermediate Similarity NPD1549 Phase 2
0.84 Intermediate Similarity NPD2796 Approved
0.8344 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8303 Intermediate Similarity NPD7473 Discontinued
0.8258 Intermediate Similarity NPD7390 Discontinued
0.825 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.825 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.821 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD6651 Approved
0.8187 Intermediate Similarity NPD6801 Discontinued
0.8133 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD6166 Phase 2
0.8121 Intermediate Similarity NPD6232 Discontinued
0.8117 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD3749 Approved
0.8065 Intermediate Similarity NPD3750 Approved
0.8052 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7458 Discontinued
0.7963 Intermediate Similarity NPD1934 Approved
0.7933 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7922 Intermediate Similarity NPD2935 Discontinued
0.7914 Intermediate Similarity NPD2801 Approved
0.7911 Intermediate Similarity NPD1511 Approved
0.7911 Intermediate Similarity NPD6799 Approved
0.7892 Intermediate Similarity NPD5494 Approved
0.7882 Intermediate Similarity NPD7054 Approved
0.7875 Intermediate Similarity NPD5403 Approved
0.7857 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD6599 Discontinued
0.7836 Intermediate Similarity NPD7074 Phase 3
0.7836 Intermediate Similarity NPD7472 Approved
0.7834 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD7003 Approved
0.7818 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD3882 Suspended
0.7812 Intermediate Similarity NPD1512 Approved
0.7803 Intermediate Similarity NPD7808 Phase 3
0.7803 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD4908 Phase 1
0.7791 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD2798 Approved
0.7771 Intermediate Similarity NPD2800 Approved
0.7759 Intermediate Similarity NPD8313 Approved
0.7759 Intermediate Similarity NPD8312 Approved
0.7758 Intermediate Similarity NPD3817 Phase 2
0.7753 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD2534 Approved
0.775 Intermediate Similarity NPD2532 Approved
0.775 Intermediate Similarity NPD5401 Approved
0.775 Intermediate Similarity NPD2533 Approved
0.7746 Intermediate Similarity NPD7251 Discontinued
0.7742 Intermediate Similarity NPD3748 Approved
0.7742 Intermediate Similarity NPD2799 Discontinued
0.774 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD3818 Discontinued
0.7697 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD5408 Approved
0.7692 Intermediate Similarity NPD5405 Approved
0.7692 Intermediate Similarity NPD1551 Phase 2
0.7692 Intermediate Similarity NPD5406 Approved
0.7692 Intermediate Similarity NPD5404 Approved
0.7688 Intermediate Similarity NPD6797 Phase 2
0.7688 Intermediate Similarity NPD5953 Discontinued
0.768 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD5844 Phase 1
0.7658 Intermediate Similarity NPD1243 Approved
0.7654 Intermediate Similarity NPD920 Approved
0.7651 Intermediate Similarity NPD5402 Approved
0.7644 Intermediate Similarity NPD6559 Discontinued
0.7643 Intermediate Similarity NPD2344 Approved
0.7625 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7572 Intermediate Similarity NPD7286 Phase 2
0.7561 Intermediate Similarity NPD3226 Approved
0.7546 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD8455 Phase 2
0.7484 Intermediate Similarity NPD943 Approved
0.7473 Intermediate Similarity NPD4363 Phase 3
0.7473 Intermediate Similarity NPD4360 Phase 2
0.7468 Intermediate Similarity NPD6100 Approved
0.7468 Intermediate Similarity NPD6099 Approved
0.7468 Intermediate Similarity NPD2313 Discontinued
0.7453 Intermediate Similarity NPD2309 Approved
0.7451 Intermediate Similarity NPD6832 Phase 2
0.7423 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD8151 Discontinued
0.7401 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD7870 Phase 2
0.7394 Intermediate Similarity NPD7871 Phase 2
0.7391 Intermediate Similarity NPD4628 Phase 3
0.7391 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD3268 Approved
0.7349 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD3926 Phase 2
0.734 Intermediate Similarity NPD7697 Approved
0.734 Intermediate Similarity NPD7696 Phase 3
0.734 Intermediate Similarity NPD7698 Approved
0.7337 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD4361 Phase 2
0.7333 Intermediate Similarity NPD1610 Phase 2
0.7333 Intermediate Similarity NPD8150 Discontinued
0.7325 Intermediate Similarity NPD5124 Phase 1
0.7325 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD919 Approved
0.7285 Intermediate Similarity NPD3972 Approved
0.7283 Intermediate Similarity NPD7229 Phase 3
0.7273 Intermediate Similarity NPD6779 Approved
0.7273 Intermediate Similarity NPD6778 Approved
0.7273 Intermediate Similarity NPD6780 Approved
0.7273 Intermediate Similarity NPD6782 Approved
0.7273 Intermediate Similarity NPD6781 Approved
0.7273 Intermediate Similarity NPD6777 Approved
0.7273 Intermediate Similarity NPD6776 Approved
0.7255 Intermediate Similarity NPD1203 Approved
0.7255 Intermediate Similarity NPD1470 Approved
0.7255 Intermediate Similarity NPD2797 Approved
0.7249 Intermediate Similarity NPD7435 Discontinued
0.7244 Intermediate Similarity NPD3764 Approved
0.7225 Intermediate Similarity NPD1247 Approved
0.7222 Intermediate Similarity NPD2654 Approved
0.7219 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD1201 Approved
0.7216 Intermediate Similarity NPD7177 Discontinued
0.7205 Intermediate Similarity NPD2346 Discontinued
0.72 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7701 Phase 2
0.7188 Intermediate Similarity NPD7033 Discontinued
0.7184 Intermediate Similarity NPD5711 Approved
0.7184 Intermediate Similarity NPD5710 Approved
0.7182 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD1548 Phase 1
0.7181 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD1465 Phase 2
0.7165 Intermediate Similarity NPD7801 Approved
0.716 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD4287 Approved
0.7143 Intermediate Similarity NPD1164 Approved
0.7135 Intermediate Similarity NPD4288 Approved
0.7135 Intermediate Similarity NPD7584 Approved
0.7126 Intermediate Similarity NPD7199 Phase 2
0.7119 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD7577 Discontinued
0.7118 Intermediate Similarity NPD37 Approved
0.7113 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7874 Approved
0.7108 Intermediate Similarity NPD7447 Phase 1
0.7105 Intermediate Similarity NPD6823 Phase 2
0.7099 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD4308 Phase 3
0.7078 Intermediate Similarity NPD3225 Approved
0.7078 Intermediate Similarity NPD1876 Approved
0.7074 Intermediate Similarity NPD7699 Phase 2
0.7074 Intermediate Similarity NPD7700 Phase 2
0.7073 Intermediate Similarity NPD8166 Discontinued
0.7067 Intermediate Similarity NPD9545 Approved
0.7066 Intermediate Similarity NPD6273 Approved
0.7059 Intermediate Similarity NPD9717 Approved
0.7049 Intermediate Similarity NPD8434 Phase 2
0.7048 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD9493 Approved
0.7045 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD1729 Discontinued
0.7032 Intermediate Similarity NPD3267 Approved
0.7032 Intermediate Similarity NPD3266 Approved
0.7031 Intermediate Similarity NPD8320 Phase 1
0.7031 Intermediate Similarity NPD8319 Approved
0.7022 Intermediate Similarity NPD7228 Approved
0.7022 Intermediate Similarity NPD3751 Discontinued
0.7011 Intermediate Similarity NPD6234 Discontinued
0.7005 Intermediate Similarity NPD6535 Approved
0.7005 Intermediate Similarity NPD6534 Approved
0.7 Intermediate Similarity NPD230 Phase 1
0.6994 Remote Similarity NPD4966 Approved
0.6994 Remote Similarity NPD4965 Approved
0.6994 Remote Similarity NPD4967 Phase 2
0.6993 Remote Similarity NPD422 Phase 1
0.699 Remote Similarity NPD7783 Phase 2
0.699 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6989 Remote Similarity NPD3787 Discontinued
0.6977 Remote Similarity NPD5760 Phase 2
0.6977 Remote Similarity NPD5761 Phase 2
0.6975 Remote Similarity NPD651 Clinical (unspecified phase)
0.6962 Remote Similarity NPD4625 Phase 3

Structure

External Identifiers

PubChem CID   53344647
ChEMBL   CHEMBL1812485
ZINC  

Physicochemical Properties

Molecular Weight:  674.22
ALogP:  -0.6631
MLogP:  4.76
XLogP:  5.313
# Rotatable Bonds:  17
Polar Surface Area:  173.98
# H-Bond Aceptor:  2
# H-Bond Donor:  6
# Rings:  6
# Heavy Atoms:  50

Download Data

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