Natural Product: NPC472847

Natural Product ID:  NPC472847
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O4
Standard InCHIKey:  JZZSIOWKIVLGFM-ZNJDGQGJSA-N
Standard InCHI:  InChI=1S/C20H30O4/c1-12(2)20-11-10-19(15(20)24-20)9-6-13-17(3,14(19)21)7-5-8-18(13,4)16(22)23/h12-13,15H,5-11H2,1-4H3,(H,22,23)/t13-,15+,17+,18-,19-,20+/m1/s1
Canonical SMILES:  CC([C@]12CC[C@]3([C@@H]2O1)CC[C@@H]1[C@](C3=O)(C)CCC[C@@]1(C)C(=O)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
NPO13153 Callicarpa macrophylla Species Lamiaceae Eukaryota Leaves PMID[26110519]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 > 30000 nM 22931300

  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 NPC472847 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
0.875 High Similarity NPC472310
0.85 High Similarity NPC474404
0.8118 Intermediate Similarity NPC259173
0.8111 Intermediate Similarity NPC472237
0.8111 Intermediate Similarity NPC472238
0.8049 Intermediate Similarity NPC477918
0.8049 Intermediate Similarity NPC169389
0.8025 Intermediate Similarity NPC472311
0.8 Intermediate Similarity NPC477936
0.8 Intermediate Similarity NPC477935
0.7976 Intermediate Similarity NPC472853
0.7931 Intermediate Similarity NPC473350
0.7927 Intermediate Similarity NPC471046
0.7912 Intermediate Similarity NPC476189
0.7875 Intermediate Similarity NPC472309
0.7865 Intermediate Similarity NPC226491
0.7865 Intermediate Similarity NPC477614
0.7841 Intermediate Similarity NPC120395
0.7826 Intermediate Similarity NPC470423
0.7816 Intermediate Similarity NPC319909
0.7816 Intermediate Similarity NPC477434
0.7805 Intermediate Similarity NPC477934
0.7805 Intermediate Similarity NPC132064
0.7805 Intermediate Similarity NPC179858
0.7792 Intermediate Similarity NPC469791
0.7778 Intermediate Similarity NPC248567
0.7778 Intermediate Similarity NPC200580
0.7742 Intermediate Similarity NPC470031
0.7738 Intermediate Similarity NPC185465
0.7738 Intermediate Similarity NPC199965
0.7738 Intermediate Similarity NPC476732
0.7711 Intermediate Similarity NPC477932
0.7711 Intermediate Similarity NPC477933
0.7684 Intermediate Similarity NPC476294
0.7667 Intermediate Similarity NPC90676
0.7654 Intermediate Similarity NPC469940
0.7647 Intermediate Similarity NPC320144
0.7634 Intermediate Similarity NPC206878
0.7634 Intermediate Similarity NPC309127
0.7634 Intermediate Similarity NPC470424
0.7634 Intermediate Similarity NPC247877
0.7619 Intermediate Similarity NPC477919
0.7619 Intermediate Similarity NPC180199
0.7619 Intermediate Similarity NPC471151
0.7614 Intermediate Similarity NPC471044
0.7614 Intermediate Similarity NPC473336
0.7609 Intermediate Similarity NPC250753
0.7609 Intermediate Similarity NPC52756
0.7586 Intermediate Similarity NPC289486
0.7586 Intermediate Similarity NPC328007
0.7586 Intermediate Similarity NPC61107
0.7586 Intermediate Similarity NPC317066
0.7586 Intermediate Similarity NPC30583
0.7586 Intermediate Similarity NPC271163
0.7561 Intermediate Similarity NPC474755
0.7558 Intermediate Similarity NPC1882
0.7529 Intermediate Similarity NPC475725
0.7528 Intermediate Similarity NPC62572
0.7527 Intermediate Similarity NPC228700
0.75 Intermediate Similarity NPC476296
0.75 Intermediate Similarity NPC470956
0.75 Intermediate Similarity NPC77756
0.75 Intermediate Similarity NPC474020
0.7474 Intermediate Similarity NPC13949
0.7471 Intermediate Similarity NPC77311
0.7471 Intermediate Similarity NPC58631
0.747 Intermediate Similarity NPC477930
0.747 Intermediate Similarity NPC133922
0.747 Intermediate Similarity NPC317212
0.7447 Intermediate Similarity NPC477495
0.7444 Intermediate Similarity NPC472272
0.7444 Intermediate Similarity NPC248216
0.7444 Intermediate Similarity NPC92139
0.7444 Intermediate Similarity NPC302111
0.7442 Intermediate Similarity NPC275243
0.7439 Intermediate Similarity NPC478227
0.7439 Intermediate Similarity NPC473267
0.7416 Intermediate Similarity NPC237938
0.7416 Intermediate Similarity NPC475689
0.7416 Intermediate Similarity NPC219535
0.7412 Intermediate Similarity NPC307865
0.7407 Intermediate Similarity NPC321732
0.7407 Intermediate Similarity NPC324607
0.7391 Intermediate Similarity NPC24705
0.7391 Intermediate Similarity NPC477443
0.7391 Intermediate Similarity NPC471459
0.7391 Intermediate Similarity NPC61688
0.7391 Intermediate Similarity NPC67653
0.7391 Intermediate Similarity NPC477440
0.7391 Intermediate Similarity NPC56962
0.7386 Intermediate Similarity NPC13494
0.7386 Intermediate Similarity NPC164289
0.7386 Intermediate Similarity NPC242771
0.7386 Intermediate Similarity NPC311642
0.7386 Intermediate Similarity NPC102156
0.7386 Intermediate Similarity NPC100366
0.7386 Intermediate Similarity NPC148740
0.7381 Intermediate Similarity NPC21220
0.7381 Intermediate Similarity NPC68565
0.7381 Intermediate Similarity NPC35871
0.7381 Intermediate Similarity NPC125767
0.7374 Intermediate Similarity NPC216114
0.7374 Intermediate Similarity NPC471253
0.7374 Intermediate Similarity NPC470310
0.7368 Intermediate Similarity NPC287354
0.7368 Intermediate Similarity NPC17336
0.7368 Intermediate Similarity NPC62407
0.7368 Intermediate Similarity NPC266431
0.7363 Intermediate Similarity NPC134197
0.7363 Intermediate Similarity NPC239938
0.7356 Intermediate Similarity NPC261616
0.7356 Intermediate Similarity NPC477851
0.7349 Intermediate Similarity NPC310766
0.7349 Intermediate Similarity NPC109510
0.7349 Intermediate Similarity NPC474123
0.7347 Intermediate Similarity NPC295276
0.734 Intermediate Similarity NPC472232
0.734 Intermediate Similarity NPC472231
0.7333 Intermediate Similarity NPC477205
0.7317 Intermediate Similarity NPC476731
0.7317 Intermediate Similarity NPC477929
0.7317 Intermediate Similarity NPC477850
0.7312 Intermediate Similarity NPC477444
0.7312 Intermediate Similarity NPC477433
0.7312 Intermediate Similarity NPC477442
0.7303 Intermediate Similarity NPC15821
0.7303 Intermediate Similarity NPC217559
0.7303 Intermediate Similarity NPC292458
0.7303 Intermediate Similarity NPC327451
0.7303 Intermediate Similarity NPC268578
0.73 Intermediate Similarity NPC88469
0.73 Intermediate Similarity NPC98603
0.73 Intermediate Similarity NPC474558
0.73 Intermediate Similarity NPC84928
0.7294 Intermediate Similarity NPC472486
0.7294 Intermediate Similarity NPC4209
0.7294 Intermediate Similarity NPC472487
0.7292 Intermediate Similarity NPC193785
0.7292 Intermediate Similarity NPC125622
0.7292 Intermediate Similarity NPC470387
0.7292 Intermediate Similarity NPC116683
0.7283 Intermediate Similarity NPC33398
0.7283 Intermediate Similarity NPC131104
0.7283 Intermediate Similarity NPC56413
0.7283 Intermediate Similarity NPC191221
0.7283 Intermediate Similarity NPC473319
0.7283 Intermediate Similarity NPC236459
0.7283 Intermediate Similarity NPC3032
0.7273 Intermediate Similarity NPC470172
0.7273 Intermediate Similarity NPC12933
0.7263 Intermediate Similarity NPC475118
0.7262 Intermediate Similarity NPC55508
0.7262 Intermediate Similarity NPC167702
0.7262 Intermediate Similarity NPC280026
0.7262 Intermediate Similarity NPC472854
0.7253 Intermediate Similarity NPC83242
0.7253 Intermediate Similarity NPC474448
0.7253 Intermediate Similarity NPC472505
0.725 Intermediate Similarity NPC268736
0.725 Intermediate Similarity NPC477931
0.7241 Intermediate Similarity NPC201276
0.7241 Intermediate Similarity NPC80891
0.7234 Intermediate Similarity NPC150383
0.7229 Intermediate Similarity NPC197701
0.7229 Intermediate Similarity NPC311102
0.7222 Intermediate Similarity NPC291310
0.7222 Intermediate Similarity NPC50438
0.7216 Intermediate Similarity NPC111187
0.7216 Intermediate Similarity NPC190080
0.7215 Intermediate Similarity NPC128608
0.7209 Intermediate Similarity NPC317913
0.7209 Intermediate Similarity NPC143250
0.7209 Intermediate Similarity NPC264602
0.7209 Intermediate Similarity NPC207010
0.72 Intermediate Similarity NPC473406
0.7195 Intermediate Similarity NPC469941
0.7195 Intermediate Similarity NPC474962
0.7195 Intermediate Similarity NPC64466
0.7195 Intermediate Similarity NPC295788
0.7195 Intermediate Similarity NPC319671
0.7195 Intermediate Similarity NPC252032
0.7195 Intermediate Similarity NPC196197
0.7195 Intermediate Similarity NPC476734
0.7188 Intermediate Similarity NPC470229
0.7188 Intermediate Similarity NPC470232
0.7188 Intermediate Similarity NPC210214
0.7188 Intermediate Similarity NPC241156
0.7188 Intermediate Similarity NPC469599
0.7184 Intermediate Similarity NPC475941
0.7184 Intermediate Similarity NPC474901
0.7179 Intermediate Similarity NPC306750
0.7176 Intermediate Similarity NPC179922
0.7176 Intermediate Similarity NPC155441
0.7176 Intermediate Similarity NPC212733
0.7172 Intermediate Similarity NPC289148
0.7172 Intermediate Similarity NPC163963
0.7172 Intermediate Similarity NPC52899
0.7172 Intermediate Similarity NPC178853
0.7172 Intermediate Similarity NPC39683
0.716 Intermediate Similarity NPC478180

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472847 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
0.825 Intermediate Similarity NPD3702 Approved
0.7654 Intermediate Similarity NPD5777 Approved
0.7654 Intermediate Similarity NPD6081 Approved
0.7468 Intermediate Similarity NPD4224 Phase 2
0.7407 Intermediate Similarity NPD3698 Phase 2
0.7342 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD4245 Approved
0.7317 Intermediate Similarity NPD4244 Approved
0.7294 Intermediate Similarity NPD6117 Approved
0.7262 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD6116 Phase 1
0.7172 Intermediate Similarity NPD1700 Approved
0.7143 Intermediate Similarity NPD5696 Approved
0.7126 Intermediate Similarity NPD6697 Approved
0.7126 Intermediate Similarity NPD6115 Approved
0.7126 Intermediate Similarity NPD6118 Approved
0.7126 Intermediate Similarity NPD6114 Approved
0.7024 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6977 Remote Similarity NPD3703 Phase 2
0.6932 Remote Similarity NPD4802 Phase 2
0.6932 Remote Similarity NPD4238 Approved
0.6905 Remote Similarity NPD4789 Approved
0.6867 Remote Similarity NPD5360 Phase 3
0.6867 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6804 Remote Similarity NPD6399 Phase 3
0.6731 Remote Similarity NPD6402 Approved
0.6731 Remote Similarity NPD6008 Approved
0.6731 Remote Similarity NPD7128 Approved
0.6731 Remote Similarity NPD5739 Approved
0.6731 Remote Similarity NPD6675 Approved
0.6701 Remote Similarity NPD8035 Phase 2
0.6701 Remote Similarity NPD8034 Phase 2
0.67 Remote Similarity NPD6083 Phase 2
0.67 Remote Similarity NPD6084 Phase 2
0.6698 Remote Similarity NPD6372 Approved
0.6698 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD5697 Approved
0.6628 Remote Similarity NPD4758 Discontinued
0.6604 Remote Similarity NPD6011 Approved
0.6604 Remote Similarity NPD7320 Approved
0.6604 Remote Similarity NPD6899 Approved
0.6604 Remote Similarity NPD6881 Approved
0.6574 Remote Similarity NPD6650 Approved
0.6574 Remote Similarity NPD6649 Approved
0.6559 Remote Similarity NPD4788 Approved
0.6542 Remote Similarity NPD6012 Approved
0.6542 Remote Similarity NPD6013 Approved
0.6542 Remote Similarity NPD6014 Approved
0.6526 Remote Similarity NPD6684 Approved
0.6526 Remote Similarity NPD7521 Approved
0.6526 Remote Similarity NPD5330 Approved
0.6526 Remote Similarity NPD7146 Approved
0.6526 Remote Similarity NPD7334 Approved
0.6526 Remote Similarity NPD6409 Approved
0.65 Remote Similarity NPD4629 Approved
0.65 Remote Similarity NPD5210 Approved
0.65 Remote Similarity NPD6356 Clinical (unspecified phase)
0.65 Remote Similarity NPD3198 Approved
0.6481 Remote Similarity NPD7102 Approved
0.6481 Remote Similarity NPD7290 Approved
0.6481 Remote Similarity NPD6883 Approved
0.6422 Remote Similarity NPD6869 Approved
0.6422 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6422 Remote Similarity NPD6617 Approved
0.6422 Remote Similarity NPD8130 Phase 1
0.6422 Remote Similarity NPD6847 Approved
0.6421 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6392 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6392 Remote Similarity NPD6903 Approved
0.6374 Remote Similarity NPD5364 Discontinued
0.6374 Remote Similarity NPD3671 Phase 1
0.6373 Remote Similarity NPD4755 Approved
0.6364 Remote Similarity NPD5284 Approved
0.6364 Remote Similarity NPD5281 Approved
0.6364 Remote Similarity NPD6882 Approved
0.6364 Remote Similarity NPD8297 Approved
0.6354 Remote Similarity NPD6098 Approved
0.6354 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6344 Remote Similarity NPD5369 Approved
0.6327 Remote Similarity NPD6673 Approved
0.6327 Remote Similarity NPD6904 Approved
0.6327 Remote Similarity NPD6080 Approved
0.6327 Remote Similarity NPD4753 Phase 2
0.6321 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3666 Approved
0.6316 Remote Similarity NPD3665 Phase 1
0.6316 Remote Similarity NPD3133 Approved
0.6296 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6283 Remote Similarity NPD7115 Discovery
0.6282 Remote Similarity NPD615 Clinical (unspecified phase)
0.6277 Remote Similarity NPD4223 Phase 3
0.6277 Remote Similarity NPD4221 Approved
0.6261 Remote Similarity NPD6319 Approved
0.625 Remote Similarity NPD5285 Approved
0.625 Remote Similarity NPD4696 Approved
0.625 Remote Similarity NPD5286 Approved
0.625 Remote Similarity NPD4700 Approved
0.6238 Remote Similarity NPD6001 Approved
0.6224 Remote Similarity NPD5737 Approved
0.6224 Remote Similarity NPD6672 Approved
0.6224 Remote Similarity NPD5208 Approved
0.62 Remote Similarity NPD5693 Phase 1
0.6195 Remote Similarity NPD6274 Approved
0.619 Remote Similarity NPD5223 Approved
0.6186 Remote Similarity NPD5786 Approved
0.617 Remote Similarity NPD4139 Approved
0.617 Remote Similarity NPD4692 Approved
0.6168 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6168 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6162 Remote Similarity NPD5328 Approved
0.6161 Remote Similarity NPD4632 Approved
0.6146 Remote Similarity NPD4786 Approved
0.6146 Remote Similarity NPD4197 Approved
0.614 Remote Similarity NPD6317 Approved
0.6139 Remote Similarity NPD4202 Approved
0.6136 Remote Similarity NPD4787 Phase 1
0.6132 Remote Similarity NPD5224 Approved
0.6132 Remote Similarity NPD5211 Phase 2
0.6132 Remote Similarity NPD5226 Approved
0.6132 Remote Similarity NPD4633 Approved
0.6132 Remote Similarity NPD5225 Approved
0.6117 Remote Similarity NPD4697 Phase 3
0.6105 Remote Similarity NPD3667 Approved
0.6105 Remote Similarity NPD6435 Approved
0.61 Remote Similarity NPD5207 Approved
0.61 Remote Similarity NPD5692 Phase 3
0.6092 Remote Similarity NPD229 Approved
0.6087 Remote Similarity NPD6313 Approved
0.6087 Remote Similarity NPD6314 Approved
0.6087 Remote Similarity NPD6335 Approved
0.6082 Remote Similarity NPD5329 Approved
0.6078 Remote Similarity NPD7748 Approved
0.6076 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6075 Remote Similarity NPD5175 Approved
0.6075 Remote Similarity NPD5174 Approved
0.6075 Remote Similarity NPD4754 Approved
0.6068 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6058 Remote Similarity NPD7902 Approved
0.605 Remote Similarity NPD7492 Approved
0.604 Remote Similarity NPD5694 Approved
0.604 Remote Similarity NPD6079 Approved
0.604 Remote Similarity NPD6050 Approved
0.604 Remote Similarity NPD6411 Approved
0.6036 Remote Similarity NPD4634 Approved
0.6034 Remote Similarity NPD7100 Approved
0.6034 Remote Similarity NPD7101 Approved
0.6023 Remote Similarity NPD4267 Clinical (unspecified phase)
0.602 Remote Similarity NPD4690 Approved
0.602 Remote Similarity NPD4689 Approved
0.602 Remote Similarity NPD4688 Approved
0.602 Remote Similarity NPD5205 Approved
0.602 Remote Similarity NPD4693 Phase 3
0.602 Remote Similarity NPD3618 Phase 1
0.602 Remote Similarity NPD4138 Approved
0.6019 Remote Similarity NPD5141 Approved
0.6 Remote Similarity NPD7909 Approved
0.6 Remote Similarity NPD6009 Approved
0.6 Remote Similarity NPD6616 Approved
0.5983 Remote Similarity NPD6059 Approved
0.5983 Remote Similarity NPD6054 Approved
0.5966 Remote Similarity NPD7604 Phase 2
0.5963 Remote Similarity NPD4767 Approved
0.5963 Remote Similarity NPD4768 Approved
0.5963 Remote Similarity NPD6920 Discontinued
0.5962 Remote Similarity NPD5221 Approved
0.5962 Remote Similarity NPD5222 Approved
0.5962 Remote Similarity NPD5220 Clinical (unspecified phase)
0.595 Remote Similarity NPD8293 Discontinued
0.595 Remote Similarity NPD7078 Approved
0.5941 Remote Similarity NPD5785 Approved
0.5938 Remote Similarity NPD4270 Approved
0.5938 Remote Similarity NPD4269 Approved
0.5932 Remote Similarity NPD6909 Approved
0.5932 Remote Similarity NPD5983 Phase 2
0.5932 Remote Similarity NPD6015 Approved
0.5932 Remote Similarity NPD6908 Approved
0.5932 Remote Similarity NPD6016 Approved
0.5909 Remote Similarity NPD6614 Approved
0.5905 Remote Similarity NPD5959 Approved
0.5905 Remote Similarity NPD5173 Approved
0.5902 Remote Similarity NPD7736 Approved
0.5895 Remote Similarity NPD6928 Phase 2
0.5895 Remote Similarity NPD5368 Approved
0.5893 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5882 Remote Similarity NPD6370 Approved
0.5882 Remote Similarity NPD5988 Approved
0.5882 Remote Similarity NPD7515 Phase 2
0.5865 Remote Similarity NPD5654 Approved
0.5859 Remote Similarity NPD4694 Approved
0.5859 Remote Similarity NPD5690 Phase 2
0.5859 Remote Similarity NPD5280 Approved
0.5856 Remote Similarity NPD4729 Approved
0.5856 Remote Similarity NPD5128 Approved
0.5856 Remote Similarity NPD4730 Approved
0.5851 Remote Similarity NPD3617 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3590330
ZINC  

Physicochemical Properties

Molecular Weight:  334.21
ALogP:  0.0964
MLogP:  3.22
XLogP:  2.451
# Rotatable Bonds:  7
Polar Surface Area:  66.9
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  24

Download Data

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