Natural Product: NPC476728

Natural Product ID:  NPC476728
Common Name:   Broussonetone C
IUPAC Name:  
Synonyms:   Broussonetone C
Molecular Formula:   C23H36O4
Standard InCHIKey:  GPDYNSLXYAITQJ-SKUUYEPTSA-N
Standard InCHI:  InChI=1S/C23H36O4/c1-19(2)9-6-10-21(5)15-8-7-14-11-22(15,18(25)16(24)17(19)21)12-23(14)13-26-20(3,4)27-23/h14-15,17-18,25H,6-13H2,1-5H3/t14-,15-,17+,18+,21-,22+,23-/m0/s1
Canonical SMILES:  O=C1[C@@H](O)[C@]23C[C@@H]([C@]4(C2)COC(O4)(C)C)CC[C@H]3[C@]2([C@H]1C(C)(C)CCC2)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
NPO5495 Broussonetia papyrifera Species Moraceae Eukaryota leaves Kaohsiung, Taiwan 2006-SEP PMID[18986201]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 353000 nM 18986201
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 323000 nM 18986201
NPT2 Others Unspecified IC50 = 54830 nM 18986201
NPT2 Others Unspecified IC50 = 43890 nM 18986201

  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 NPC476728 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
0.9451 High Similarity NPC305808
0.9022 High Similarity NPC161035
0.8866 High Similarity NPC213528
0.8866 High Similarity NPC244969
0.8778 High Similarity NPC80700
0.8778 High Similarity NPC476726
0.8778 High Similarity NPC476727
0.8763 High Similarity NPC178853
0.8725 High Similarity NPC473062
0.8687 High Similarity NPC100078
0.86 High Similarity NPC306776
0.86 High Similarity NPC166079
0.8558 High Similarity NPC97002
0.8539 High Similarity NPC470611
0.8526 High Similarity NPC470424
0.8444 Intermediate Similarity NPC327451
0.8416 Intermediate Similarity NPC215408
0.8384 Intermediate Similarity NPC477172
0.837 Intermediate Similarity NPC472272
0.8351 Intermediate Similarity NPC116683
0.835 Intermediate Similarity NPC227879
0.835 Intermediate Similarity NPC208333
0.8317 Intermediate Similarity NPC88469
0.8316 Intermediate Similarity NPC52756
0.8298 Intermediate Similarity NPC61688
0.8283 Intermediate Similarity NPC41843
0.828 Intermediate Similarity NPC161928
0.828 Intermediate Similarity NPC210658
0.8265 Intermediate Similarity NPC472273
0.8265 Intermediate Similarity NPC471241
0.8252 Intermediate Similarity NPC475319
0.8252 Intermediate Similarity NPC202898
0.8252 Intermediate Similarity NPC92890
0.8247 Intermediate Similarity NPC470031
0.8229 Intermediate Similarity NPC256104
0.8229 Intermediate Similarity NPC122083
0.8229 Intermediate Similarity NPC182740
0.8229 Intermediate Similarity NPC472231
0.8229 Intermediate Similarity NPC211845
0.8229 Intermediate Similarity NPC472232
0.8229 Intermediate Similarity NPC476189
0.8224 Intermediate Similarity NPC475490
0.8218 Intermediate Similarity NPC107385
0.8218 Intermediate Similarity NPC34562
0.8211 Intermediate Similarity NPC77756
0.8191 Intermediate Similarity NPC128475
0.8173 Intermediate Similarity NPC220836
0.8173 Intermediate Similarity NPC473817
0.8173 Intermediate Similarity NPC94086
0.8173 Intermediate Similarity NPC92297
0.8173 Intermediate Similarity NPC233433
0.8173 Intermediate Similarity NPC273002
0.8172 Intermediate Similarity NPC474448
0.8163 Intermediate Similarity NPC475765
0.8163 Intermediate Similarity NPC475785
0.8155 Intermediate Similarity NPC203974
0.8148 Intermediate Similarity NPC179429
0.8144 Intermediate Similarity NPC329713
0.8144 Intermediate Similarity NPC470423
0.8144 Intermediate Similarity NPC217567
0.8144 Intermediate Similarity NPC76136
0.8137 Intermediate Similarity NPC470167
0.8137 Intermediate Similarity NPC327093
0.8132 Intermediate Similarity NPC24556
0.8132 Intermediate Similarity NPC296734
0.8125 Intermediate Similarity NPC475878
0.8119 Intermediate Similarity NPC470172
0.81 Intermediate Similarity NPC20028
0.8077 Intermediate Similarity NPC472079
0.8065 Intermediate Similarity NPC273290
0.8065 Intermediate Similarity NPC232044
0.8061 Intermediate Similarity NPC21897
0.8061 Intermediate Similarity NPC287354
0.8061 Intermediate Similarity NPC215570
0.8061 Intermediate Similarity NPC62407
0.8043 Intermediate Similarity NPC470070
0.8043 Intermediate Similarity NPC217559
0.8043 Intermediate Similarity NPC292458
0.8043 Intermediate Similarity NPC268578
0.8039 Intermediate Similarity NPC471253
0.8039 Intermediate Similarity NPC473406
0.8022 Intermediate Similarity NPC469745
0.8 Intermediate Similarity NPC228190
0.8 Intermediate Similarity NPC236753
0.8 Intermediate Similarity NPC31302
0.8 Intermediate Similarity NPC253995
0.8 Intermediate Similarity NPC245029
0.798 Intermediate Similarity NPC193785
0.798 Intermediate Similarity NPC156377
0.7979 Intermediate Similarity NPC92139
0.7963 Intermediate Similarity NPC79193
0.7959 Intermediate Similarity NPC477495
0.7959 Intermediate Similarity NPC206878
0.7957 Intermediate Similarity NPC474996
0.7957 Intermediate Similarity NPC50438
0.7957 Intermediate Similarity NPC473336
0.7957 Intermediate Similarity NPC227260
0.7957 Intermediate Similarity NPC471044
0.7944 Intermediate Similarity NPC477489
0.7944 Intermediate Similarity NPC477492
0.7941 Intermediate Similarity NPC310031
0.7941 Intermediate Similarity NPC80191
0.7938 Intermediate Similarity NPC59006
0.7938 Intermediate Similarity NPC474065
0.7935 Intermediate Similarity NPC317066
0.7925 Intermediate Similarity NPC470065
0.7917 Intermediate Similarity NPC477440
0.7917 Intermediate Similarity NPC200580
0.7917 Intermediate Similarity NPC20822
0.7917 Intermediate Similarity NPC228059
0.7917 Intermediate Similarity NPC477443
0.7912 Intermediate Similarity NPC7479
0.7912 Intermediate Similarity NPC257296
0.7912 Intermediate Similarity NPC470609
0.7912 Intermediate Similarity NPC248944
0.79 Intermediate Similarity NPC470632
0.7895 Intermediate Similarity NPC263802
0.7895 Intermediate Similarity NPC202937
0.7857 Intermediate Similarity NPC167644
0.7857 Intermediate Similarity NPC472238
0.7857 Intermediate Similarity NPC311246
0.7857 Intermediate Similarity NPC472237
0.785 Intermediate Similarity NPC469824
0.7849 Intermediate Similarity NPC111582
0.7849 Intermediate Similarity NPC477285
0.7835 Intermediate Similarity NPC477442
0.7835 Intermediate Similarity NPC50443
0.7835 Intermediate Similarity NPC477433
0.7835 Intermediate Similarity NPC477444
0.7835 Intermediate Similarity NPC473542
0.7835 Intermediate Similarity NPC18536
0.7835 Intermediate Similarity NPC476296
0.7826 Intermediate Similarity NPC58631
0.7822 Intermediate Similarity NPC476294
0.7822 Intermediate Similarity NPC292775
0.7822 Intermediate Similarity NPC472144
0.7822 Intermediate Similarity NPC211087
0.7812 Intermediate Similarity NPC477614
0.7812 Intermediate Similarity NPC476435
0.7812 Intermediate Similarity NPC226491
0.7802 Intermediate Similarity NPC320144
0.7802 Intermediate Similarity NPC201276
0.7802 Intermediate Similarity NPC476176
0.7802 Intermediate Similarity NPC80891
0.7789 Intermediate Similarity NPC472745
0.7789 Intermediate Similarity NPC155531
0.7789 Intermediate Similarity NPC215968
0.7788 Intermediate Similarity NPC29705
0.7778 Intermediate Similarity NPC477224
0.7778 Intermediate Similarity NPC3538
0.7778 Intermediate Similarity NPC175
0.7778 Intermediate Similarity NPC64081
0.7778 Intermediate Similarity NPC45959
0.7778 Intermediate Similarity NPC252253
0.7778 Intermediate Similarity NPC30687
0.7778 Intermediate Similarity NPC113500
0.7778 Intermediate Similarity NPC474574
0.7767 Intermediate Similarity NPC471254
0.7766 Intermediate Similarity NPC291310
0.7766 Intermediate Similarity NPC477434
0.7755 Intermediate Similarity NPC473066
0.7755 Intermediate Similarity NPC5632
0.7755 Intermediate Similarity NPC149966
0.7753 Intermediate Similarity NPC159789
0.7745 Intermediate Similarity NPC470030
0.7745 Intermediate Similarity NPC108371
0.7742 Intermediate Similarity NPC121121
0.7742 Intermediate Similarity NPC477286
0.7742 Intermediate Similarity NPC61107
0.7742 Intermediate Similarity NPC328007
0.7742 Intermediate Similarity NPC475388
0.7742 Intermediate Similarity NPC164289
0.7742 Intermediate Similarity NPC286719
0.7742 Intermediate Similarity NPC100366
0.7742 Intermediate Similarity NPC242771
0.7742 Intermediate Similarity NPC268040
0.7742 Intermediate Similarity NPC311642
0.7742 Intermediate Similarity NPC289486
0.7736 Intermediate Similarity NPC316930
0.7736 Intermediate Similarity NPC469826
0.7732 Intermediate Similarity NPC471459
0.7732 Intermediate Similarity NPC67653
0.7732 Intermediate Similarity NPC82955
0.7732 Intermediate Similarity NPC472234
0.7732 Intermediate Similarity NPC472233
0.7723 Intermediate Similarity NPC472145
0.7723 Intermediate Similarity NPC74466
0.7717 Intermediate Similarity NPC472853
0.7708 Intermediate Similarity NPC239938
0.7708 Intermediate Similarity NPC470920
0.7706 Intermediate Similarity NPC178981
0.7706 Intermediate Similarity NPC102619
0.7706 Intermediate Similarity NPC471627
0.7706 Intermediate Similarity NPC471173
0.77 Intermediate Similarity NPC473064
0.77 Intermediate Similarity NPC473067
0.77 Intermediate Similarity NPC17336
0.77 Intermediate Similarity NPC473065
0.7692 Intermediate Similarity NPC34046
0.7692 Intermediate Similarity NPC171426

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476728 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
0.85 High Similarity NPD8170 Clinical (unspecified phase)
0.7928 Intermediate Similarity NPD6059 Approved
0.7928 Intermediate Similarity NPD6054 Approved
0.7912 Intermediate Similarity NPD6928 Phase 2
0.7788 Intermediate Similarity NPD6370 Approved
0.7753 Intermediate Similarity NPD3703 Phase 2
0.7699 Intermediate Similarity NPD6015 Approved
0.7699 Intermediate Similarity NPD6016 Approved
0.7692 Intermediate Similarity NPD6114 Approved
0.7692 Intermediate Similarity NPD6697 Approved
0.7692 Intermediate Similarity NPD6115 Approved
0.7692 Intermediate Similarity NPD6118 Approved
0.7652 Intermediate Similarity NPD7492 Approved
0.7632 Intermediate Similarity NPD5988 Approved
0.7607 Intermediate Similarity NPD7736 Approved
0.7586 Intermediate Similarity NPD6616 Approved
0.7582 Intermediate Similarity NPD6116 Phase 1
0.7521 Intermediate Similarity NPD8293 Discontinued
0.7521 Intermediate Similarity NPD7078 Approved
0.75 Intermediate Similarity NPD6009 Approved
0.75 Intermediate Similarity NPD1700 Approved
0.75 Intermediate Similarity NPD8171 Discontinued
0.7473 Intermediate Similarity NPD6117 Approved
0.7458 Intermediate Similarity NPD6033 Approved
0.7416 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD4789 Approved
0.7303 Intermediate Similarity NPD4244 Approved
0.7303 Intermediate Similarity NPD4245 Approved
0.7297 Intermediate Similarity NPD6882 Approved
0.7253 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD7320 Approved
0.7232 Intermediate Similarity NPD4632 Approved
0.7222 Intermediate Similarity NPD5739 Approved
0.7222 Intermediate Similarity NPD7128 Approved
0.7222 Intermediate Similarity NPD6402 Approved
0.7222 Intermediate Similarity NPD6675 Approved
0.7191 Intermediate Similarity NPD3698 Phase 2
0.7191 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD3702 Approved
0.7143 Intermediate Similarity NPD8297 Approved
0.7143 Intermediate Similarity NPD7507 Approved
0.7091 Intermediate Similarity NPD6899 Approved
0.7091 Intermediate Similarity NPD6881 Approved
0.7079 Intermediate Similarity NPD5360 Phase 3
0.7079 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD4755 Approved
0.7033 Intermediate Similarity NPD5777 Approved
0.7027 Intermediate Similarity NPD6373 Approved
0.7027 Intermediate Similarity NPD6372 Approved
0.7009 Intermediate Similarity NPD6319 Approved
0.7 Intermediate Similarity NPD6412 Phase 2
0.7 Intermediate Similarity NPD5701 Approved
0.7 Intermediate Similarity NPD5697 Approved
0.6975 Remote Similarity NPD7604 Phase 2
0.6967 Remote Similarity NPD7319 Approved
0.6964 Remote Similarity NPD7102 Approved
0.6964 Remote Similarity NPD6883 Approved
0.6964 Remote Similarity NPD7290 Approved
0.6949 Remote Similarity NPD5983 Phase 2
0.6937 Remote Similarity NPD6011 Approved
0.6937 Remote Similarity NPD5345 Clinical (unspecified phase)
0.693 Remote Similarity NPD8133 Approved
0.6916 Remote Similarity NPD5286 Approved
0.6916 Remote Similarity NPD5285 Approved
0.6916 Remote Similarity NPD4700 Approved
0.6916 Remote Similarity NPD4696 Approved
0.6909 Remote Similarity NPD6008 Approved
0.6903 Remote Similarity NPD6650 Approved
0.6903 Remote Similarity NPD6617 Approved
0.6903 Remote Similarity NPD6649 Approved
0.6903 Remote Similarity NPD6847 Approved
0.6903 Remote Similarity NPD6869 Approved
0.6903 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6903 Remote Similarity NPD8130 Phase 1
0.6875 Remote Similarity NPD6012 Approved
0.6875 Remote Similarity NPD6014 Approved
0.6875 Remote Similarity NPD6013 Approved
0.686 Remote Similarity NPD6336 Discontinued
0.6857 Remote Similarity NPD7991 Discontinued
0.6852 Remote Similarity NPD5223 Approved
0.6833 Remote Similarity NPD6067 Discontinued
0.6818 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6814 Remote Similarity NPD4634 Approved
0.6813 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6789 Remote Similarity NPD4633 Approved
0.6789 Remote Similarity NPD5226 Approved
0.6789 Remote Similarity NPD5225 Approved
0.6789 Remote Similarity NPD5224 Approved
0.6789 Remote Similarity NPD5211 Phase 2
0.6752 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6742 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6731 Remote Similarity NPD8034 Phase 2
0.6731 Remote Similarity NPD8035 Phase 2
0.6727 Remote Similarity NPD5175 Approved
0.6727 Remote Similarity NPD5174 Approved
0.6727 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD4758 Discontinued
0.6667 Remote Similarity NPD6081 Approved
0.6667 Remote Similarity NPD6940 Discontinued
0.6667 Remote Similarity NPD5141 Approved
0.6634 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6607 Remote Similarity NPD4768 Approved
0.6607 Remote Similarity NPD4767 Approved
0.66 Remote Similarity NPD4788 Approved
0.6598 Remote Similarity NPD5364 Discontinued
0.6598 Remote Similarity NPD3671 Phase 1
0.6579 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6084 Phase 2
0.6574 Remote Similarity NPD6083 Phase 2
0.6566 Remote Similarity NPD1779 Approved
0.6566 Remote Similarity NPD1780 Approved
0.6559 Remote Similarity NPD4787 Phase 1
0.6557 Remote Similarity NPD8328 Phase 3
0.6555 Remote Similarity NPD7327 Approved
0.6555 Remote Similarity NPD6335 Approved
0.6555 Remote Similarity NPD7328 Approved
0.6538 Remote Similarity NPD5328 Approved
0.6529 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6274 Approved
0.6514 Remote Similarity NPD7638 Approved
0.6509 Remote Similarity NPD4202 Approved
0.6508 Remote Similarity NPD5956 Approved
0.65 Remote Similarity NPD7101 Approved
0.65 Remote Similarity NPD7100 Approved
0.65 Remote Similarity NPD7516 Approved
0.6491 Remote Similarity NPD4729 Approved
0.6491 Remote Similarity NPD5128 Approved
0.6491 Remote Similarity NPD4730 Approved
0.6484 Remote Similarity NPD4224 Phase 2
0.6481 Remote Similarity NPD5222 Approved
0.6481 Remote Similarity NPD5221 Approved
0.6481 Remote Similarity NPD4697 Phase 3
0.6481 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6317 Approved
0.6455 Remote Similarity NPD7639 Approved
0.6455 Remote Similarity NPD7640 Approved
0.6446 Remote Similarity NPD8377 Approved
0.6446 Remote Similarity NPD8294 Approved
0.6436 Remote Similarity NPD3669 Approved
0.6436 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6422 Remote Similarity NPD5173 Approved
0.6417 Remote Similarity NPD6313 Approved
0.6417 Remote Similarity NPD6314 Approved
0.6415 Remote Similarity NPD6079 Approved
0.6393 Remote Similarity NPD8380 Approved
0.6393 Remote Similarity NPD8033 Approved
0.6393 Remote Similarity NPD8378 Approved
0.6393 Remote Similarity NPD8379 Approved
0.6393 Remote Similarity NPD8335 Approved
0.6393 Remote Similarity NPD8296 Approved
0.6393 Remote Similarity NPD6909 Approved
0.6393 Remote Similarity NPD6908 Approved
0.6381 Remote Similarity NPD4753 Phase 2
0.6379 Remote Similarity NPD5250 Approved
0.6379 Remote Similarity NPD5247 Approved
0.6379 Remote Similarity NPD5251 Approved
0.6379 Remote Similarity NPD5248 Approved
0.6379 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6379 Remote Similarity NPD5169 Approved
0.6379 Remote Similarity NPD5249 Phase 3
0.6379 Remote Similarity NPD5135 Approved
0.6355 Remote Similarity NPD6399 Phase 3
0.6354 Remote Similarity NPD1810 Approved
0.6354 Remote Similarity NPD1811 Approved
0.6339 Remote Similarity NPD7632 Discontinued
0.6325 Remote Similarity NPD5216 Approved
0.6325 Remote Similarity NPD5215 Approved
0.6325 Remote Similarity NPD5127 Approved
0.6325 Remote Similarity NPD5217 Approved
0.6306 Remote Similarity NPD8418 Phase 2
0.6263 Remote Similarity NPD4802 Phase 2
0.6263 Remote Similarity NPD4238 Approved
0.626 Remote Similarity NPD6921 Approved
0.6239 Remote Similarity NPD5695 Phase 3
0.6239 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6216 Remote Similarity NPD5696 Approved
0.6214 Remote Similarity NPD4786 Approved
0.6167 Remote Similarity NPD5167 Approved
0.6154 Remote Similarity NPD5329 Approved
0.6154 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6139 Remote Similarity NPD7525 Registered
0.6116 Remote Similarity NPD6868 Approved
0.6095 Remote Similarity NPD3618 Phase 1
0.6095 Remote Similarity NPD6098 Approved
0.6091 Remote Similarity NPD5210 Approved
0.6091 Remote Similarity NPD4629 Approved
0.6075 Remote Similarity NPD6080 Approved
0.6075 Remote Similarity NPD6673 Approved
0.6075 Remote Similarity NPD6904 Approved
0.6068 Remote Similarity NPD6686 Approved
0.6058 Remote Similarity NPD3666 Approved
0.6058 Remote Similarity NPD4197 Approved
0.6058 Remote Similarity NPD3133 Approved
0.6058 Remote Similarity NPD3665 Phase 1
0.6042 Remote Similarity NPD2687 Approved
0.6042 Remote Similarity NPD2254 Approved
0.6042 Remote Similarity NPD7532 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   25157565
ChEMBL   CHEMBL577801
ZINC  

Physicochemical Properties

Molecular Weight:  376.26
ALogP:  -0.1148
MLogP:  3.55
XLogP:  5.323
# Rotatable Bonds:  6
Polar Surface Area:  55.76
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  27

Download Data

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Structure MOL file  
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Biological Activities  
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