Natural Product: NPC113906

Natural Product ID:  NPC113906
Common Name:   Cudratricusxanthone K
IUPAC Name:   1,6,7-trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Synonyms:   cudratricusxanthone K
Molecular Formula:   C24H26O6
Standard InCHIKey:  NHJUGTUGZNCOKP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C24H26O6/c1-12(2)6-8-14-21(27)20-22(28)16-10-17(25)18(26)11-19(16)30-24(20)15(23(14)29-5)9-7-13(3)4/h6-7,10-11,25-27H,8-9H2,1-5H3
Canonical SMILES:  COc1c(CC=C(C)C)c2oc3cc(O)c(cc3c(=O)c2c(c1CC=C(C)C)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
NPO30804 Cudrania tricuspidata Species Moraceae Eukaryota Root barks PMID[17608532]
NPO30804 Cudrania tricuspidata Species Moraceae Eukaryota Roots PMID[25322455]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT892 Individual Protein Monoamine oxidase A Mus musculus IC50 > 150000 nM 4851320
NPT2 Others Unspecified IC50 > 30000 nM 11858759

  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 NPC113906 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
0.9866 High Similarity NPC262286
0.9866 High Similarity NPC36852
0.9799 High Similarity NPC138243
0.9733 High Similarity NPC78225
0.9671 High Similarity NPC472275
0.9669 High Similarity NPC172770
0.9669 High Similarity NPC185258
0.9667 High Similarity NPC191146
0.9667 High Similarity NPC68093
0.9667 High Similarity NPC142339
0.9608 High Similarity NPC83922
0.9608 High Similarity NPC472448
0.9605 High Similarity NPC56085
0.9605 High Similarity NPC228785
0.9605 High Similarity NPC14353
0.9605 High Similarity NPC476980
0.9603 High Similarity NPC236796
0.9603 High Similarity NPC223787
0.9603 High Similarity NPC79053
0.96 High Similarity NPC117992
0.96 High Similarity NPC152951
0.96 High Similarity NPC230149
0.96 High Similarity NPC57674
0.96 High Similarity NPC168247
0.9597 High Similarity NPC106976
0.9597 High Similarity NPC249570
0.9597 High Similarity NPC101996
0.9595 High Similarity NPC62042
0.9592 High Similarity NPC194856
0.9545 High Similarity NPC329669
0.9545 High Similarity NPC473313
0.9545 High Similarity NPC472278
0.9542 High Similarity NPC266314
0.9542 High Similarity NPC278052
0.9542 High Similarity NPC167678
0.9542 High Similarity NPC40491
0.9542 High Similarity NPC61010
0.9542 High Similarity NPC32694
0.9542 High Similarity NPC258331
0.9542 High Similarity NPC29876
0.9539 High Similarity NPC95936
0.9539 High Similarity NPC100123
0.9539 High Similarity NPC250214
0.9536 High Similarity NPC472916
0.9533 High Similarity NPC33051
0.9533 High Similarity NPC213896
0.9533 High Similarity NPC167091
0.9533 High Similarity NPC88645
0.9533 High Similarity NPC476631
0.9533 High Similarity NPC89474
0.9533 High Similarity NPC292214
0.9533 High Similarity NPC74924
0.9533 High Similarity NPC49402
0.9533 High Similarity NPC273462
0.9533 High Similarity NPC70433
0.9533 High Similarity NPC298692
0.9533 High Similarity NPC206238
0.9533 High Similarity NPC227337
0.9533 High Similarity NPC192083
0.9533 High Similarity NPC271779
0.953 High Similarity NPC171010
0.9527 High Similarity NPC266499
0.9524 High Similarity NPC207729
0.9484 High Similarity NPC37183
0.9481 High Similarity NPC81679
0.9481 High Similarity NPC220912
0.9481 High Similarity NPC329760
0.9481 High Similarity NPC470694
0.9477 High Similarity NPC119224
0.9477 High Similarity NPC204290
0.9477 High Similarity NPC320359
0.9477 High Similarity NPC246478
0.9477 High Similarity NPC235018
0.9477 High Similarity NPC45146
0.9474 High Similarity NPC474836
0.9474 High Similarity NPC217677
0.9474 High Similarity NPC469584
0.9474 High Similarity NPC472913
0.9474 High Similarity NPC472910
0.9474 High Similarity NPC241904
0.9474 High Similarity NPC222814
0.9474 High Similarity NPC48208
0.9474 High Similarity NPC291508
0.9474 High Similarity NPC96167
0.9474 High Similarity NPC472914
0.9474 High Similarity NPC476981
0.9474 High Similarity NPC162869
0.9474 High Similarity NPC156057
0.9474 High Similarity NPC245758
0.9474 High Similarity NPC99597
0.9474 High Similarity NPC474208
0.9474 High Similarity NPC472911
0.9474 High Similarity NPC210084
0.9474 High Similarity NPC475267
0.9474 High Similarity NPC165977
0.9474 High Similarity NPC300727
0.947 High Similarity NPC321779
0.947 High Similarity NPC477503
0.947 High Similarity NPC256925
0.947 High Similarity NPC20830
0.947 High Similarity NPC200761
0.947 High Similarity NPC470327
0.947 High Similarity NPC208197
0.947 High Similarity NPC256612
0.947 High Similarity NPC134287
0.947 High Similarity NPC45849
0.947 High Similarity NPC2928
0.947 High Similarity NPC130589
0.9467 High Similarity NPC161277
0.9467 High Similarity NPC199100
0.9467 High Similarity NPC180234
0.9467 High Similarity NPC471982
0.9467 High Similarity NPC39007
0.9467 High Similarity NPC120537
0.9463 High Similarity NPC88804
0.9463 High Similarity NPC184136
0.9463 High Similarity NPC179183
0.9463 High Similarity NPC3825
0.9459 High Similarity NPC276930
0.9459 High Similarity NPC37135
0.9459 High Similarity NPC186397
0.9423 High Similarity NPC277480
0.9419 High Similarity NPC248638
0.9419 High Similarity NPC236132
0.9419 High Similarity NPC236521
0.9419 High Similarity NPC41301
0.9419 High Similarity NPC220313
0.9419 High Similarity NPC152659
0.9419 High Similarity NPC7483
0.9416 High Similarity NPC259456
0.9416 High Similarity NPC134783
0.9416 High Similarity NPC228383
0.9412 High Similarity NPC204879
0.9412 High Similarity NPC476242
0.9412 High Similarity NPC469658
0.9412 High Similarity NPC329091
0.9408 High Similarity NPC472626
0.9408 High Similarity NPC255106
0.9408 High Similarity NPC470328
0.9408 High Similarity NPC291878
0.9408 High Similarity NPC274730
0.9408 High Similarity NPC235165
0.9408 High Similarity NPC472455
0.9408 High Similarity NPC35038
0.9408 High Similarity NPC209614
0.9408 High Similarity NPC278778
0.9408 High Similarity NPC276444
0.9408 High Similarity NPC195796
0.9404 High Similarity NPC280937
0.9404 High Similarity NPC231018
0.9404 High Similarity NPC47781
0.9404 High Similarity NPC22519
0.9404 High Similarity NPC250822
0.9404 High Similarity NPC176775
0.9404 High Similarity NPC75279
0.9404 High Similarity NPC160951
0.9404 High Similarity NPC274327
0.9404 High Similarity NPC69394
0.9404 High Similarity NPC183878
0.9404 High Similarity NPC472915
0.9404 High Similarity NPC145379
0.9404 High Similarity NPC255350
0.9404 High Similarity NPC276409
0.94 High Similarity NPC149614
0.94 High Similarity NPC251110
0.94 High Similarity NPC202157
0.94 High Similarity NPC117579
0.94 High Similarity NPC154345
0.94 High Similarity NPC205046
0.94 High Similarity NPC204515
0.94 High Similarity NPC304295
0.94 High Similarity NPC59162
0.9396 High Similarity NPC223988
0.9359 High Similarity NPC275780
0.9359 High Similarity NPC472450
0.9359 High Similarity NPC239752
0.9359 High Similarity NPC473286
0.9359 High Similarity NPC326520
0.9355 High Similarity NPC261470
0.9355 High Similarity NPC25152
0.9351 High Similarity NPC474287
0.9351 High Similarity NPC475886
0.9351 High Similarity NPC80375
0.9346 High Similarity NPC52889
0.9346 High Similarity NPC180011
0.9346 High Similarity NPC129684
0.9346 High Similarity NPC27337
0.9346 High Similarity NPC161960
0.9346 High Similarity NPC304008
0.9346 High Similarity NPC472598
0.9346 High Similarity NPC187745
0.9346 High Similarity NPC219867
0.9346 High Similarity NPC218871
0.9346 High Similarity NPC476630
0.9346 High Similarity NPC78103
0.9346 High Similarity NPC474681
0.9346 High Similarity NPC181960
0.9346 High Similarity NPC218313
0.9346 High Similarity NPC299520
0.9346 High Similarity NPC474055

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC113906 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
0.9533 High Similarity NPD2393 Clinical (unspecified phase)
0.9404 High Similarity NPD2801 Approved
0.9211 High Similarity NPD1934 Approved
0.906 High Similarity NPD1511 Approved
0.894 High Similarity NPD1512 Approved
0.891 High Similarity NPD3882 Suspended
0.8874 High Similarity NPD4378 Clinical (unspecified phase)
0.8861 High Similarity NPD5494 Approved
0.879 High Similarity NPD4868 Clinical (unspecified phase)
0.8758 High Similarity NPD6166 Phase 2
0.8758 High Similarity NPD6167 Clinical (unspecified phase)
0.8758 High Similarity NPD6168 Clinical (unspecified phase)
0.871 High Similarity NPD4380 Phase 2
0.865 High Similarity NPD3818 Discontinued
0.8616 High Similarity NPD7075 Discontinued
0.86 High Similarity NPD1549 Phase 2
0.8545 High Similarity NPD7074 Phase 3
0.8544 High Similarity NPD7096 Clinical (unspecified phase)
0.8544 High Similarity NPD7819 Suspended
0.8533 High Similarity NPD1550 Clinical (unspecified phase)
0.8533 High Similarity NPD1552 Clinical (unspecified phase)
0.8506 High Similarity NPD7410 Clinical (unspecified phase)
0.8503 High Similarity NPD4338 Clinical (unspecified phase)
0.8491 Intermediate Similarity NPD3817 Phase 2
0.8485 Intermediate Similarity NPD7054 Approved
0.8434 Intermediate Similarity NPD7472 Approved
0.8418 Intermediate Similarity NPD7411 Suspended
0.8405 Intermediate Similarity NPD6232 Discontinued
0.84 Intermediate Similarity NPD1510 Phase 2
0.8385 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8383 Intermediate Similarity NPD6797 Phase 2
0.8378 Intermediate Similarity NPD1240 Approved
0.8378 Intermediate Similarity NPD943 Approved
0.8375 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8373 Intermediate Similarity NPD5844 Phase 1
0.8364 Intermediate Similarity NPD7473 Discontinued
0.8344 Intermediate Similarity NPD2796 Approved
0.8344 Intermediate Similarity NPD6959 Discontinued
0.8344 Intermediate Similarity NPD2935 Discontinued
0.8333 Intermediate Similarity NPD7251 Discontinued
0.8313 Intermediate Similarity NPD1465 Phase 2
0.8274 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8267 Intermediate Similarity NPD1607 Approved
0.825 Intermediate Similarity NPD6801 Discontinued
0.8232 Intermediate Similarity NPD1247 Approved
0.8205 Intermediate Similarity NPD6799 Approved
0.8182 Intermediate Similarity NPD2800 Approved
0.8176 Intermediate Similarity NPD7808 Phase 3
0.8155 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8148 Intermediate Similarity NPD5402 Approved
0.8118 Intermediate Similarity NPD6559 Discontinued
0.8084 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8079 Intermediate Similarity NPD230 Phase 1
0.8041 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8038 Intermediate Similarity NPD2533 Approved
0.8038 Intermediate Similarity NPD2534 Approved
0.8038 Intermediate Similarity NPD2532 Approved
0.8012 Intermediate Similarity NPD6599 Discontinued
0.8 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD7768 Phase 2
0.7987 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7949 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD3749 Approved
0.7922 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD3926 Phase 2
0.7898 Intermediate Similarity NPD3750 Approved
0.7895 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD1613 Approved
0.7892 Intermediate Similarity NPD919 Approved
0.784 Intermediate Similarity NPD3226 Approved
0.7834 Intermediate Similarity NPD1243 Approved
0.7826 Intermediate Similarity NPD920 Approved
0.7821 Intermediate Similarity NPD2346 Discontinued
0.7806 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD2799 Discontinued
0.7797 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD6651 Approved
0.7763 Intermediate Similarity NPD2313 Discontinued
0.7756 Intermediate Similarity NPD6099 Approved
0.7756 Intermediate Similarity NPD1551 Phase 2
0.7756 Intermediate Similarity NPD6100 Approved
0.7746 Intermediate Similarity NPD5953 Discontinued
0.7733 Intermediate Similarity NPD7286 Phase 2
0.7727 Intermediate Similarity NPD447 Suspended
0.7716 Intermediate Similarity NPD5403 Approved
0.7716 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7709 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD2344 Approved
0.7705 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD7390 Discontinued
0.7593 Intermediate Similarity NPD5401 Approved
0.7582 Intermediate Similarity NPD3027 Phase 3
0.758 Intermediate Similarity NPD3748 Approved
0.7578 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD6234 Discontinued
0.7572 Intermediate Similarity NPD3751 Discontinued
0.7562 Intermediate Similarity NPD4628 Phase 3
0.7562 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD1653 Approved
0.7557 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD5710 Approved
0.7544 Intermediate Similarity NPD5711 Approved
0.7532 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6190 Approved
0.7516 Intermediate Similarity NPD2309 Approved
0.75 Intermediate Similarity NPD1933 Approved
0.7485 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD9269 Phase 2
0.7451 Intermediate Similarity NPD9494 Approved
0.7442 Intermediate Similarity NPD3787 Discontinued
0.7434 Intermediate Similarity NPD1203 Approved
0.7423 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD6782 Approved
0.7419 Intermediate Similarity NPD6778 Approved
0.7419 Intermediate Similarity NPD6777 Approved
0.7419 Intermediate Similarity NPD6776 Approved
0.7419 Intermediate Similarity NPD6779 Approved
0.7419 Intermediate Similarity NPD6780 Approved
0.7419 Intermediate Similarity NPD6781 Approved
0.7417 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD8312 Approved
0.7416 Intermediate Similarity NPD8313 Approved
0.7403 Intermediate Similarity NPD4908 Phase 1
0.74 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD7199 Phase 2
0.7381 Intermediate Similarity NPD6844 Discontinued
0.7381 Intermediate Similarity NPD37 Approved
0.7371 Intermediate Similarity NPD7228 Approved
0.7355 Intermediate Similarity NPD4625 Phase 3
0.7353 Intermediate Similarity NPD4966 Approved
0.7353 Intermediate Similarity NPD4967 Phase 2
0.7353 Intermediate Similarity NPD4965 Approved
0.7337 Intermediate Similarity NPD4360 Phase 2
0.7337 Intermediate Similarity NPD4363 Phase 3
0.7321 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD7435 Discontinued
0.7299 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD8434 Phase 2
0.7293 Intermediate Similarity NPD8150 Discontinued
0.7292 Intermediate Similarity NPD8151 Discontinued
0.729 Intermediate Similarity NPD6832 Phase 2
0.7285 Intermediate Similarity NPD1610 Phase 2
0.7278 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2798 Approved
0.7258 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7229 Phase 3
0.7237 Intermediate Similarity NPD9717 Approved
0.7226 Intermediate Similarity NPD2861 Phase 2
0.7211 Intermediate Similarity NPD7698 Approved
0.7211 Intermediate Similarity NPD7696 Phase 3
0.7211 Intermediate Similarity NPD7697 Approved
0.7208 Intermediate Similarity NPD1470 Approved
0.7207 Intermediate Similarity NPD7685 Pre-registration
0.7202 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD9268 Approved
0.72 Intermediate Similarity NPD5242 Approved
0.7197 Intermediate Similarity NPD3268 Approved
0.7193 Intermediate Similarity NPD5353 Approved
0.719 Intermediate Similarity NPD4749 Approved
0.7188 Intermediate Similarity NPD7584 Approved
0.7178 Intermediate Similarity NPD2654 Approved
0.7173 Intermediate Similarity NPD7871 Phase 2
0.7173 Intermediate Similarity NPD7870 Phase 2
0.7169 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD2403 Approved
0.7158 Intermediate Similarity NPD6823 Phase 2
0.7151 Intermediate Similarity NPD6534 Approved
0.7151 Intermediate Similarity NPD6535 Approved
0.715 Intermediate Similarity NPD7701 Phase 2
0.7143 Intermediate Similarity NPD7033 Discontinued
0.7143 Intermediate Similarity NPD4308 Phase 3
0.7133 Intermediate Similarity NPD1548 Phase 1
0.7128 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7783 Phase 2
0.7124 Intermediate Similarity NPD1608 Approved
0.7117 Intermediate Similarity NPD2424 Discontinued
0.7112 Intermediate Similarity NPD4361 Phase 2
0.7112 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD7458 Discontinued
0.7099 Intermediate Similarity NPD5405 Approved
0.7099 Intermediate Similarity NPD5404 Approved
0.7099 Intermediate Similarity NPD5408 Approved
0.7099 Intermediate Similarity NPD5406 Approved
0.7097 Intermediate Similarity NPD2797 Approved
0.7095 Intermediate Similarity NPD1729 Discontinued
0.7089 Intermediate Similarity NPD411 Approved
0.7089 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD7874 Approved
0.7077 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD5124 Phase 1
0.7063 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1201 Approved
0.7059 Intermediate Similarity NPD422 Phase 1
0.7055 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD1471 Phase 3
0.705 Intermediate Similarity NPD2899 Discontinued

Structure

External Identifiers

PubChem CID   16757289
ChEMBL   CHEMBL228335
ZINC  

Physicochemical Properties

Molecular Weight:  410.17
ALogP:  1.9042
MLogP:  3.44
XLogP:  3.539
# Rotatable Bonds:  13
Polar Surface Area:  96.22
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  30

Download Data

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