Natural Product: NPC144459

Natural Product ID:  NPC144459
Common Name:   Elaeocarpucin G
IUPAC Name:  
Synonyms:   Elaeocarpucin G
Molecular Formula:   C30H46O5
Standard InCHIKey:  HJWDHAWGQLFXQP-WJOUMQMESA-N
Standard InCHI:  InChI=1S/C30H46O5/c1-16(2)13-19-25(33)30(8,34)24-20(35-19)14-27(5)21-11-9-17-18(10-12-22(31)26(17,3)4)29(21,7)23(32)15-28(24,27)6/h9,13,18-22,24-25,31,33-34H,10-12,14-15H2,1-8H3/t18-,19+,20-,21+,22+,24+,25-,27+,28-,29+,30-/m1/s1
Canonical SMILES:  CC(=C[C@@H]1O[C@@H]2C[C@@]3([C@]([C@H]2[C@@]([C@@H]1O)(C)O)(C)CC(=O)[C@@]1([C@H]3CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)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
NPO32449 eleaocarpus chinensis Species NA NA PMID[22239601]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens IC50 = 2900 nM 12398531

  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 NPC144459 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
0.9596 High Similarity NPC149124
0.9596 High Similarity NPC75531
0.9592 High Similarity NPC185530
0.9495 High Similarity NPC26478
0.9307 High Similarity NPC60681
0.9126 High Similarity NPC177064
0.9 High Similarity NPC83709
0.8725 High Similarity NPC473174
0.8725 High Similarity NPC474327
0.8713 High Similarity NPC471784
0.8713 High Similarity NPC303777
0.8654 High Similarity NPC137657
0.8649 High Similarity NPC475041
0.8641 High Similarity NPC473928
0.8627 High Similarity NPC473176
0.8611 High Similarity NPC207251
0.8544 High Similarity NPC476897
0.8532 High Similarity NPC317210
0.8509 High Similarity NPC473979
0.8505 High Similarity NPC173905
0.8505 High Similarity NPC5475
0.8505 High Similarity NPC472216
0.8505 High Similarity NPC284828
0.85 High Similarity NPC174051
0.85 High Similarity NPC67831
0.8491 Intermediate Similarity NPC220229
0.8491 Intermediate Similarity NPC475060
0.8491 Intermediate Similarity NPC83744
0.8482 Intermediate Similarity NPC61520
0.8469 Intermediate Similarity NPC32830
0.8462 Intermediate Similarity NPC477915
0.8462 Intermediate Similarity NPC473424
0.8455 Intermediate Similarity NPC326542
0.8431 Intermediate Similarity NPC190554
0.8421 Intermediate Similarity NPC269642
0.8411 Intermediate Similarity NPC329417
0.8411 Intermediate Similarity NPC217201
0.8407 Intermediate Similarity NPC474370
0.8407 Intermediate Similarity NPC79579
0.8396 Intermediate Similarity NPC202167
0.8396 Intermediate Similarity NPC48733
0.8396 Intermediate Similarity NPC97202
0.8396 Intermediate Similarity NPC214264
0.8396 Intermediate Similarity NPC296945
0.8396 Intermediate Similarity NPC50692
0.8396 Intermediate Similarity NPC149047
0.8396 Intermediate Similarity NPC49958
0.8396 Intermediate Similarity NPC302607
0.8396 Intermediate Similarity NPC150531
0.8396 Intermediate Similarity NPC319077
0.8396 Intermediate Similarity NPC260268
0.8396 Intermediate Similarity NPC152695
0.8396 Intermediate Similarity NPC476027
0.8396 Intermediate Similarity NPC85829
0.8396 Intermediate Similarity NPC171137
0.8393 Intermediate Similarity NPC257457
0.8393 Intermediate Similarity NPC311554
0.8393 Intermediate Similarity NPC329736
0.8393 Intermediate Similarity NPC153440
0.8381 Intermediate Similarity NPC324001
0.8381 Intermediate Similarity NPC191892
0.8378 Intermediate Similarity NPC190286
0.8376 Intermediate Similarity NPC311534
0.8367 Intermediate Similarity NPC470417
0.8364 Intermediate Similarity NPC194100
0.8364 Intermediate Similarity NPC250109
0.8333 Intermediate Similarity NPC41405
0.8333 Intermediate Similarity NPC214644
0.8333 Intermediate Similarity NPC46570
0.8333 Intermediate Similarity NPC11710
0.8319 Intermediate Similarity NPC305260
0.8319 Intermediate Similarity NPC264954
0.8319 Intermediate Similarity NPC5292
0.8319 Intermediate Similarity NPC270850
0.8318 Intermediate Similarity NPC477916
0.8304 Intermediate Similarity NPC470959
0.8304 Intermediate Similarity NPC476965
0.8302 Intermediate Similarity NPC209502
0.8302 Intermediate Similarity NPC473175
0.8302 Intermediate Similarity NPC204833
0.83 Intermediate Similarity NPC262870
0.8273 Intermediate Similarity NPC126691
0.8273 Intermediate Similarity NPC191620
0.8269 Intermediate Similarity NPC473510
0.8269 Intermediate Similarity NPC15390
0.8269 Intermediate Similarity NPC110149
0.8265 Intermediate Similarity NPC90652
0.8261 Intermediate Similarity NPC28532
0.8261 Intermediate Similarity NPC88326
0.8261 Intermediate Similarity NPC153700
0.8261 Intermediate Similarity NPC107493
0.8257 Intermediate Similarity NPC52241
0.8257 Intermediate Similarity NPC475317
0.8257 Intermediate Similarity NPC37116
0.8257 Intermediate Similarity NPC76084
0.8257 Intermediate Similarity NPC154856
0.8252 Intermediate Similarity NPC291634
0.8252 Intermediate Similarity NPC126815
0.8252 Intermediate Similarity NPC210337
0.8252 Intermediate Similarity NPC474977
0.8252 Intermediate Similarity NPC18509
0.8246 Intermediate Similarity NPC474585
0.8241 Intermediate Similarity NPC65941
0.8235 Intermediate Similarity NPC469599
0.8235 Intermediate Similarity NPC473170
0.8235 Intermediate Similarity NPC173347
0.8235 Intermediate Similarity NPC472932
0.823 Intermediate Similarity NPC709
0.823 Intermediate Similarity NPC50774
0.823 Intermediate Similarity NPC45475
0.8224 Intermediate Similarity NPC231530
0.8224 Intermediate Similarity NPC278628
0.8214 Intermediate Similarity NPC270929
0.82 Intermediate Similarity NPC320026
0.82 Intermediate Similarity NPC171441
0.8198 Intermediate Similarity NPC962
0.8198 Intermediate Similarity NPC73300
0.8198 Intermediate Similarity NPC178981
0.8198 Intermediate Similarity NPC108721
0.819 Intermediate Similarity NPC469789
0.819 Intermediate Similarity NPC27363
0.8174 Intermediate Similarity NPC473256
0.8174 Intermediate Similarity NPC470878
0.8167 Intermediate Similarity NPC471855
0.8158 Intermediate Similarity NPC473270
0.8155 Intermediate Similarity NPC88009
0.8155 Intermediate Similarity NPC471463
0.8155 Intermediate Similarity NPC160056
0.8151 Intermediate Similarity NPC231529
0.8148 Intermediate Similarity NPC185
0.8148 Intermediate Similarity NPC59530
0.8148 Intermediate Similarity NPC165873
0.8148 Intermediate Similarity NPC131665
0.8148 Intermediate Similarity NPC255387
0.8142 Intermediate Similarity NPC286528
0.8142 Intermediate Similarity NPC20302
0.8142 Intermediate Similarity NPC140055
0.8142 Intermediate Similarity NPC470492
0.8142 Intermediate Similarity NPC473590
0.8142 Intermediate Similarity NPC167606
0.8142 Intermediate Similarity NPC471854
0.8136 Intermediate Similarity NPC287423
0.8131 Intermediate Similarity NPC471293
0.8125 Intermediate Similarity NPC67259
0.8125 Intermediate Similarity NPC147912
0.812 Intermediate Similarity NPC8374
0.8113 Intermediate Similarity NPC87351
0.8113 Intermediate Similarity NPC136289
0.8108 Intermediate Similarity NPC475524
0.8108 Intermediate Similarity NPC474265
0.8108 Intermediate Similarity NPC280782
0.8108 Intermediate Similarity NPC130427
0.8108 Intermediate Similarity NPC100267
0.8108 Intermediate Similarity NPC476163
0.8108 Intermediate Similarity NPC210420
0.81 Intermediate Similarity NPC31985
0.81 Intermediate Similarity NPC1015
0.81 Intermediate Similarity NPC2983
0.81 Intermediate Similarity NPC474245
0.81 Intermediate Similarity NPC76879
0.8095 Intermediate Similarity NPC144956
0.8095 Intermediate Similarity NPC167974
0.8095 Intermediate Similarity NPC230546
0.8095 Intermediate Similarity NPC154072
0.8091 Intermediate Similarity NPC473627
0.8087 Intermediate Similarity NPC476961
0.8081 Intermediate Similarity NPC317590
0.8077 Intermediate Similarity NPC107243
0.8077 Intermediate Similarity NPC57416
0.8073 Intermediate Similarity NPC472219
0.8073 Intermediate Similarity NPC472825
0.8073 Intermediate Similarity NPC472218
0.8073 Intermediate Similarity NPC472217
0.8073 Intermediate Similarity NPC94529
0.8058 Intermediate Similarity NPC8774
0.8056 Intermediate Similarity NPC478052
0.8056 Intermediate Similarity NPC173172
0.8056 Intermediate Similarity NPC475414
0.8056 Intermediate Similarity NPC210178
0.8053 Intermediate Similarity NPC176840
0.8053 Intermediate Similarity NPC266728
0.8053 Intermediate Similarity NPC49492
0.8051 Intermediate Similarity NPC469750
0.8051 Intermediate Similarity NPC250556
0.8051 Intermediate Similarity NPC293112
0.8039 Intermediate Similarity NPC472930
0.8039 Intermediate Similarity NPC472942
0.8037 Intermediate Similarity NPC236390
0.8037 Intermediate Similarity NPC117185
0.8037 Intermediate Similarity NPC194323
0.8037 Intermediate Similarity NPC239716
0.8037 Intermediate Similarity NPC311612
0.8037 Intermediate Similarity NPC474775
0.8036 Intermediate Similarity NPC260665
0.8036 Intermediate Similarity NPC255017
0.8034 Intermediate Similarity NPC11895
0.802 Intermediate Similarity NPC48010
0.8019 Intermediate Similarity NPC81530
0.8019 Intermediate Similarity NPC475617
0.8018 Intermediate Similarity NPC471243

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC144459 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
0.8252 Intermediate Similarity NPD4755 Approved
0.8224 Intermediate Similarity NPD7128 Approved
0.8224 Intermediate Similarity NPD6675 Approved
0.8224 Intermediate Similarity NPD5739 Approved
0.8224 Intermediate Similarity NPD6402 Approved
0.8142 Intermediate Similarity NPD7115 Discovery
0.8113 Intermediate Similarity NPD5211 Phase 2
0.8108 Intermediate Similarity NPD8297 Approved
0.8095 Intermediate Similarity NPD4700 Approved
0.8095 Intermediate Similarity NPD4696 Approved
0.8095 Intermediate Similarity NPD5285 Approved
0.8095 Intermediate Similarity NPD5286 Approved
0.8073 Intermediate Similarity NPD7320 Approved
0.8073 Intermediate Similarity NPD6899 Approved
0.8073 Intermediate Similarity NPD6881 Approved
0.8051 Intermediate Similarity NPD7507 Approved
0.8 Intermediate Similarity NPD6372 Approved
0.8 Intermediate Similarity NPD6373 Approved
0.7982 Intermediate Similarity NPD5697 Approved
0.7982 Intermediate Similarity NPD6412 Phase 2
0.7982 Intermediate Similarity NPD5701 Approved
0.7963 Intermediate Similarity NPD5141 Approved
0.7959 Intermediate Similarity NPD4786 Approved
0.7944 Intermediate Similarity NPD5226 Approved
0.7944 Intermediate Similarity NPD4633 Approved
0.7944 Intermediate Similarity NPD5224 Approved
0.7944 Intermediate Similarity NPD5225 Approved
0.7928 Intermediate Similarity NPD6883 Approved
0.7928 Intermediate Similarity NPD7290 Approved
0.7928 Intermediate Similarity NPD7102 Approved
0.7921 Intermediate Similarity NPD5328 Approved
0.787 Intermediate Similarity NPD5174 Approved
0.787 Intermediate Similarity NPD5175 Approved
0.7864 Intermediate Similarity NPD4202 Approved
0.7864 Intermediate Similarity NPD6399 Phase 3
0.7857 Intermediate Similarity NPD6847 Approved
0.7857 Intermediate Similarity NPD6869 Approved
0.7857 Intermediate Similarity NPD6617 Approved
0.7857 Intermediate Similarity NPD8130 Phase 1
0.7857 Intermediate Similarity NPD6649 Approved
0.7857 Intermediate Similarity NPD6650 Approved
0.7851 Intermediate Similarity NPD7319 Approved
0.785 Intermediate Similarity NPD5223 Approved
0.7838 Intermediate Similarity NPD6013 Approved
0.7838 Intermediate Similarity NPD6012 Approved
0.7838 Intermediate Similarity NPD6014 Approved
0.7788 Intermediate Similarity NPD6882 Approved
0.7768 Intermediate Similarity NPD4634 Approved
0.7767 Intermediate Similarity NPD6079 Approved
0.7755 Intermediate Similarity NPD3667 Approved
0.7748 Intermediate Similarity NPD6011 Approved
0.7745 Intermediate Similarity NPD4753 Phase 2
0.7736 Intermediate Similarity NPD6083 Phase 2
0.7736 Intermediate Similarity NPD6084 Phase 2
0.7727 Intermediate Similarity NPD4768 Approved
0.7727 Intermediate Similarity NPD4767 Approved
0.7719 Intermediate Similarity NPD4632 Approved
0.7706 Intermediate Similarity NPD4754 Approved
0.7699 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD6054 Approved
0.7627 Intermediate Similarity NPD6319 Approved
0.7627 Intermediate Similarity NPD6059 Approved
0.76 Intermediate Similarity NPD3665 Phase 1
0.76 Intermediate Similarity NPD3133 Approved
0.76 Intermediate Similarity NPD3666 Approved
0.7589 Intermediate Similarity NPD4730 Approved
0.7589 Intermediate Similarity NPD4729 Approved
0.7589 Intermediate Similarity NPD5128 Approved
0.75 Intermediate Similarity NPD7638 Approved
0.75 Intermediate Similarity NPD6370 Approved
0.7478 Intermediate Similarity NPD6053 Discontinued
0.7477 Intermediate Similarity NPD5221 Approved
0.7477 Intermediate Similarity NPD5222 Approved
0.7477 Intermediate Similarity NPD4697 Phase 3
0.7477 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD7327 Approved
0.7458 Intermediate Similarity NPD7328 Approved
0.7456 Intermediate Similarity NPD5249 Phase 3
0.7456 Intermediate Similarity NPD5251 Approved
0.7456 Intermediate Similarity NPD5248 Approved
0.7456 Intermediate Similarity NPD5250 Approved
0.7456 Intermediate Similarity NPD5247 Approved
0.7451 Intermediate Similarity NPD3618 Phase 1
0.7436 Intermediate Similarity NPD6274 Approved
0.7431 Intermediate Similarity NPD7640 Approved
0.7431 Intermediate Similarity NPD7639 Approved
0.7417 Intermediate Similarity NPD6016 Approved
0.7417 Intermediate Similarity NPD8033 Approved
0.7417 Intermediate Similarity NPD6015 Approved
0.7411 Intermediate Similarity NPD6008 Approved
0.7407 Intermediate Similarity NPD5173 Approved
0.74 Intermediate Similarity NPD4221 Approved
0.74 Intermediate Similarity NPD4223 Phase 3
0.7395 Intermediate Similarity NPD7101 Approved
0.7395 Intermediate Similarity NPD7100 Approved
0.7395 Intermediate Similarity NPD7516 Approved
0.7391 Intermediate Similarity NPD5215 Approved
0.7391 Intermediate Similarity NPD5217 Approved
0.7391 Intermediate Similarity NPD5216 Approved
0.7383 Intermediate Similarity NPD4629 Approved
0.7383 Intermediate Similarity NPD5210 Approved
0.7383 Intermediate Similarity NPD5695 Phase 3
0.7377 Intermediate Similarity NPD7492 Approved
0.7373 Intermediate Similarity NPD6009 Approved
0.7355 Intermediate Similarity NPD5988 Approved
0.7353 Intermediate Similarity NPD5329 Approved
0.7339 Intermediate Similarity NPD5696 Approved
0.7339 Intermediate Similarity NPD7736 Approved
0.7333 Intermediate Similarity NPD8377 Approved
0.7333 Intermediate Similarity NPD8294 Approved
0.7317 Intermediate Similarity NPD6616 Approved
0.7311 Intermediate Similarity NPD6335 Approved
0.7308 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD5135 Approved
0.7304 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD5169 Approved
0.7295 Intermediate Similarity NPD7604 Phase 2
0.7282 Intermediate Similarity NPD7146 Approved
0.7282 Intermediate Similarity NPD6409 Approved
0.7282 Intermediate Similarity NPD5330 Approved
0.7282 Intermediate Similarity NPD7521 Approved
0.7282 Intermediate Similarity NPD7334 Approved
0.7282 Intermediate Similarity NPD6684 Approved
0.7281 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD6686 Approved
0.7273 Intermediate Similarity NPD6908 Approved
0.7273 Intermediate Similarity NPD8378 Approved
0.7273 Intermediate Similarity NPD6909 Approved
0.7273 Intermediate Similarity NPD8380 Approved
0.7273 Intermediate Similarity NPD8335 Approved
0.7273 Intermediate Similarity NPD7503 Approved
0.7273 Intermediate Similarity NPD8379 Approved
0.7273 Intermediate Similarity NPD8296 Approved
0.7273 Intermediate Similarity NPD5983 Phase 2
0.7265 Intermediate Similarity NPD8133 Approved
0.7264 Intermediate Similarity NPD5693 Phase 1
0.7258 Intermediate Similarity NPD7078 Approved
0.7258 Intermediate Similarity NPD8293 Discontinued
0.7255 Intermediate Similarity NPD4197 Approved
0.7255 Intermediate Similarity NPD3668 Phase 3
0.7241 Intermediate Similarity NPD5127 Approved
0.7238 Intermediate Similarity NPD6051 Approved
0.7227 Intermediate Similarity NPD6317 Approved
0.7217 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7525 Registered
0.7182 Intermediate Similarity NPD4225 Approved
0.7177 Intermediate Similarity NPD6336 Discontinued
0.7167 Intermediate Similarity NPD6313 Approved
0.7167 Intermediate Similarity NPD6314 Approved
0.7157 Intermediate Similarity NPD4788 Approved
0.7143 Intermediate Similarity NPD6903 Approved
0.7143 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD7748 Approved
0.7115 Intermediate Similarity NPD4689 Approved
0.7115 Intermediate Similarity NPD6098 Approved
0.7115 Intermediate Similarity NPD4693 Phase 3
0.7115 Intermediate Similarity NPD4690 Approved
0.7115 Intermediate Similarity NPD4138 Approved
0.7115 Intermediate Similarity NPD5205 Approved
0.7115 Intermediate Similarity NPD4688 Approved
0.7103 Intermediate Similarity NPD7515 Phase 2
0.7103 Intermediate Similarity NPD8034 Phase 2
0.7103 Intermediate Similarity NPD8035 Phase 2
0.7091 Intermediate Similarity NPD7902 Approved
0.7075 Intermediate Similarity NPD6904 Approved
0.7075 Intermediate Similarity NPD6673 Approved
0.7075 Intermediate Similarity NPD6080 Approved
0.7064 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6033 Approved
0.7059 Intermediate Similarity NPD5167 Approved
0.7054 Intermediate Similarity NPD4159 Approved
0.7048 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7524 Approved
0.7041 Intermediate Similarity NPD7339 Approved
0.7041 Intermediate Similarity NPD6942 Approved
0.7019 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.6992 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6981 Remote Similarity NPD5737 Approved
0.6981 Remote Similarity NPD6672 Approved
0.6952 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5690 Phase 2
0.6952 Remote Similarity NPD5280 Approved
0.6952 Remote Similarity NPD5279 Phase 3
0.6952 Remote Similarity NPD4694 Approved
0.6944 Remote Similarity NPD6411 Approved
0.6944 Remote Similarity NPD5281 Approved
0.6944 Remote Similarity NPD5284 Approved
0.6923 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6435 Approved
0.6887 Remote Similarity NPD3573 Approved
0.688 Remote Similarity NPD8328 Phase 3
0.6864 Remote Similarity NPD6371 Approved
0.6864 Remote Similarity NPD5955 Clinical (unspecified phase)
0.686 Remote Similarity NPD6868 Approved
0.6855 Remote Similarity NPD8515 Approved
0.6855 Remote Similarity NPD8513 Phase 3
0.6855 Remote Similarity NPD8516 Approved
0.6855 Remote Similarity NPD8517 Approved
0.6842 Remote Similarity NPD7632 Discontinued

Structure

External Identifiers

PubChem CID   57379942
ChEMBL   CHEMBL2023382
ZINC  

Physicochemical Properties

Molecular Weight:  486.33
ALogP:  1.5445
MLogP:  4.21
XLogP:  3.444
# Rotatable Bonds:  12
Polar Surface Area:  86.99
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  35

Download Data

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