Natural Product: NPC241927

Natural Product ID:  NPC241927
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H46O6
Standard InCHIKey:  ZBJCSWVKUJLAAQ-SXJDHWIHSA-N
Standard InCHI:  InChI=1S/C32H46O6/c1-17(15-33)18(2)27(36)28(37)20(4)26-24(38-21(5)34)14-30(7)25-9-8-22-19(3)23(35)10-11-31(22)16-32(25,31)13-12-29(26,30)6/h10-11,17,19-20,22,24-26,28,33,37H,2,8-9,12-16H2,1,3-7H3/t17-,19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1
Canonical SMILES:  OC[C@@H](C(=C)C(=O)[C@@H]([C@H]([C@H]1[C@@H](OC(=O)C)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)C=CC(=O)[C@H]2C)C)C)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
NPO16384 Neoboutonia melleri Species Euphorbiaceae Eukaryota PMID[22206869]
NPO16384 Neoboutonia melleri Species Euphorbiaceae Eukaryota PMID[22168134]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 1600 nM 18412395
NPT2 Others Unspecified IC50 = 42000 nM 22934671
NPT2 Others Unspecified FC = 2.9 2985785
NPT2 Others Unspecified FC = 45 15139773
NPT2 Others Unspecified FC = 1.4 17588752
NPT2 Others Unspecified FC = 2.9 20405847
NPT2 Others Unspecified FC = 45 18411318
NPT2 Others Unspecified IC50 = 51000 nM 25517209
NPT2 Others Unspecified FC = 28 PubChem BioAssay data set
NPT2 Others Unspecified FC = 28 16724855
NPT2 Others Unspecified FC = 1.4 24487236

  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 NPC241927 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
1.0 High Similarity NPC258543
0.9804 High Similarity NPC118860
0.9804 High Similarity NPC231589
0.9804 High Similarity NPC214797
0.9709 High Similarity NPC71348
0.9709 High Similarity NPC170487
0.97 High Similarity NPC181265
0.96 High Similarity NPC235889
0.9434 High Similarity NPC270958
0.932 High Similarity NPC470269
0.9259 High Similarity NPC118638
0.9245 High Similarity NPC202889
0.9208 High Similarity NPC271266
0.9208 High Similarity NPC15396
0.9208 High Similarity NPC308351
0.9029 High Similarity NPC310586
0.8962 High Similarity NPC197428
0.8942 High Similarity NPC470267
0.8899 High Similarity NPC148458
0.8868 High Similarity NPC304495
0.8818 High Similarity NPC239273
0.8796 High Similarity NPC475524
0.8796 High Similarity NPC100267
0.8774 High Similarity NPC211224
0.8774 High Similarity NPC94529
0.8762 High Similarity NPC196528
0.8762 High Similarity NPC470309
0.8679 High Similarity NPC44063
0.8679 High Similarity NPC475294
0.8667 High Similarity NPC29705
0.8667 High Similarity NPC255309
0.8641 High Similarity NPC218383
0.8624 High Similarity NPC221144
0.8614 High Similarity NPC469599
0.8585 High Similarity NPC278628
0.8585 High Similarity NPC231530
0.8585 High Similarity NPC96377
0.8571 High Similarity NPC140723
0.8544 High Similarity NPC114274
0.8532 High Similarity NPC470281
0.8532 High Similarity NPC43775
0.8529 High Similarity NPC42042
0.8519 High Similarity NPC2766
0.85 High Similarity NPC154101
0.8482 Intermediate Similarity NPC471854
0.8476 Intermediate Similarity NPC87351
0.8468 Intermediate Similarity NPC471398
0.8462 Intermediate Similarity NPC474720
0.8455 Intermediate Similarity NPC280782
0.8447 Intermediate Similarity NPC108078
0.8416 Intermediate Similarity NPC206810
0.8416 Intermediate Similarity NPC109414
0.8411 Intermediate Similarity NPC265127
0.8407 Intermediate Similarity NPC257457
0.8407 Intermediate Similarity NPC311554
0.8396 Intermediate Similarity NPC311612
0.8396 Intermediate Similarity NPC236390
0.8381 Intermediate Similarity NPC476240
0.8381 Intermediate Similarity NPC476223
0.8381 Intermediate Similarity NPC224720
0.8381 Intermediate Similarity NPC474327
0.8378 Intermediate Similarity NPC52634
0.8365 Intermediate Similarity NPC197386
0.8365 Intermediate Similarity NPC477854
0.835 Intermediate Similarity NPC58052
0.835 Intermediate Similarity NPC49371
0.835 Intermediate Similarity NPC111684
0.8333 Intermediate Similarity NPC294266
0.8318 Intermediate Similarity NPC164835
0.8318 Intermediate Similarity NPC96268
0.8318 Intermediate Similarity NPC228669
0.8318 Intermediate Similarity NPC137657
0.8302 Intermediate Similarity NPC22388
0.8302 Intermediate Similarity NPC56498
0.8302 Intermediate Similarity NPC136289
0.8302 Intermediate Similarity NPC473928
0.8302 Intermediate Similarity NPC204450
0.8302 Intermediate Similarity NPC195290
0.83 Intermediate Similarity NPC477943
0.8286 Intermediate Similarity NPC476274
0.8286 Intermediate Similarity NPC15390
0.8286 Intermediate Similarity NPC144956
0.8269 Intermediate Similarity NPC87090
0.8269 Intermediate Similarity NPC57416
0.8269 Intermediate Similarity NPC107243
0.8241 Intermediate Similarity NPC475571
0.8235 Intermediate Similarity NPC25750
0.8224 Intermediate Similarity NPC159442
0.8224 Intermediate Similarity NPC470310
0.8224 Intermediate Similarity NPC111323
0.8214 Intermediate Similarity NPC250109
0.8214 Intermediate Similarity NPC472926
0.8214 Intermediate Similarity NPC962
0.8214 Intermediate Similarity NPC194100
0.8208 Intermediate Similarity NPC81530
0.8208 Intermediate Similarity NPC99411
0.8208 Intermediate Similarity NPC477356
0.819 Intermediate Similarity NPC98868
0.819 Intermediate Similarity NPC222011
0.819 Intermediate Similarity NPC271387
0.819 Intermediate Similarity NPC477355
0.819 Intermediate Similarity NPC176845
0.819 Intermediate Similarity NPC153792
0.8182 Intermediate Similarity NPC470257
0.8174 Intermediate Similarity NPC473203
0.8173 Intermediate Similarity NPC477853
0.8173 Intermediate Similarity NPC305483
0.8173 Intermediate Similarity NPC173272
0.8173 Intermediate Similarity NPC96859
0.8173 Intermediate Similarity NPC328162
0.8173 Intermediate Similarity NPC125622
0.8165 Intermediate Similarity NPC3316
0.8165 Intermediate Similarity NPC220974
0.8165 Intermediate Similarity NPC43285
0.8165 Intermediate Similarity NPC472925
0.8165 Intermediate Similarity NPC144854
0.8165 Intermediate Similarity NPC58370
0.8165 Intermediate Similarity NPC185
0.8158 Intermediate Similarity NPC472927
0.8155 Intermediate Similarity NPC196485
0.8155 Intermediate Similarity NPC111015
0.8155 Intermediate Similarity NPC245972
0.8151 Intermediate Similarity NPC473253
0.8148 Intermediate Similarity NPC28656
0.8137 Intermediate Similarity NPC218301
0.8136 Intermediate Similarity NPC473255
0.8131 Intermediate Similarity NPC118405
0.8131 Intermediate Similarity NPC308726
0.8131 Intermediate Similarity NPC477054
0.8131 Intermediate Similarity NPC119601
0.8125 Intermediate Similarity NPC152117
0.8125 Intermediate Similarity NPC234042
0.8125 Intermediate Similarity NPC264634
0.812 Intermediate Similarity NPC222688
0.8119 Intermediate Similarity NPC186688
0.8119 Intermediate Similarity NPC54689
0.8113 Intermediate Similarity NPC205899
0.8113 Intermediate Similarity NPC83709
0.8113 Intermediate Similarity NPC167974
0.8108 Intermediate Similarity NPC5284
0.8108 Intermediate Similarity NPC6206
0.8103 Intermediate Similarity NPC109973
0.8095 Intermediate Similarity NPC18509
0.8095 Intermediate Similarity NPC43747
0.8095 Intermediate Similarity NPC475894
0.8095 Intermediate Similarity NPC18319
0.8095 Intermediate Similarity NPC69385
0.8095 Intermediate Similarity NPC190554
0.8091 Intermediate Similarity NPC192813
0.8091 Intermediate Similarity NPC469844
0.8091 Intermediate Similarity NPC277017
0.8091 Intermediate Similarity NPC154608
0.8077 Intermediate Similarity NPC69548
0.8077 Intermediate Similarity NPC184848
0.8077 Intermediate Similarity NPC98639
0.8077 Intermediate Similarity NPC476174
0.8077 Intermediate Similarity NPC470016
0.8077 Intermediate Similarity NPC317586
0.8077 Intermediate Similarity NPC48330
0.8077 Intermediate Similarity NPC241156
0.8073 Intermediate Similarity NPC257353
0.807 Intermediate Similarity NPC49492
0.807 Intermediate Similarity NPC190286
0.807 Intermediate Similarity NPC298278
0.807 Intermediate Similarity NPC266728
0.8067 Intermediate Similarity NPC15095
0.8058 Intermediate Similarity NPC470376
0.8058 Intermediate Similarity NPC474807
0.8058 Intermediate Similarity NPC152897
0.8058 Intermediate Similarity NPC66429
0.8058 Intermediate Similarity NPC470375
0.8058 Intermediate Similarity NPC477855
0.8056 Intermediate Similarity NPC117185
0.8056 Intermediate Similarity NPC275583
0.8056 Intermediate Similarity NPC312900
0.8056 Intermediate Similarity NPC55872
0.8056 Intermediate Similarity NPC264048
0.8056 Intermediate Similarity NPC191892
0.8053 Intermediate Similarity NPC255017
0.8053 Intermediate Similarity NPC472929
0.8037 Intermediate Similarity NPC163372
0.8037 Intermediate Similarity NPC477053
0.8037 Intermediate Similarity NPC477051
0.8037 Intermediate Similarity NPC477052
0.8037 Intermediate Similarity NPC472924
0.8037 Intermediate Similarity NPC302537
0.8036 Intermediate Similarity NPC472928
0.8033 Intermediate Similarity NPC471855
0.802 Intermediate Similarity NPC294480
0.802 Intermediate Similarity NPC183546
0.8019 Intermediate Similarity NPC10364
0.8019 Intermediate Similarity NPC235464
0.8019 Intermediate Similarity NPC166745
0.8019 Intermediate Similarity NPC147954
0.8019 Intermediate Similarity NPC477813
0.8018 Intermediate Similarity NPC170221
0.8018 Intermediate Similarity NPC10064
0.8018 Intermediate Similarity NPC41405
0.8018 Intermediate Similarity NPC214644
0.8017 Intermediate Similarity NPC475041

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC241927 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
0.8774 High Similarity NPD6899 Approved
0.8774 High Similarity NPD6881 Approved
0.8704 High Similarity NPD6650 Approved
0.8704 High Similarity NPD8130 Phase 1
0.8704 High Similarity NPD6649 Approved
0.8679 High Similarity NPD5697 Approved
0.8624 High Similarity NPD8297 Approved
0.8611 High Similarity NPD7102 Approved
0.8611 High Similarity NPD7290 Approved
0.8611 High Similarity NPD6883 Approved
0.8598 High Similarity NPD6011 Approved
0.8585 High Similarity NPD6675 Approved
0.8585 High Similarity NPD5739 Approved
0.8585 High Similarity NPD6402 Approved
0.8585 High Similarity NPD7128 Approved
0.8532 High Similarity NPD6869 Approved
0.8532 High Similarity NPD6847 Approved
0.8532 High Similarity NPD6617 Approved
0.8519 High Similarity NPD6012 Approved
0.8519 High Similarity NPD6373 Approved
0.8519 High Similarity NPD6014 Approved
0.8519 High Similarity NPD6372 Approved
0.8519 High Similarity NPD6013 Approved
0.8455 Intermediate Similarity NPD6882 Approved
0.8447 Intermediate Similarity NPD6083 Phase 2
0.8447 Intermediate Similarity NPD6084 Phase 2
0.8426 Intermediate Similarity NPD7320 Approved
0.8378 Intermediate Similarity NPD4632 Approved
0.8362 Intermediate Similarity NPD7604 Phase 2
0.8333 Intermediate Similarity NPD5701 Approved
0.8286 Intermediate Similarity NPD4696 Approved
0.8286 Intermediate Similarity NPD5285 Approved
0.8286 Intermediate Similarity NPD5286 Approved
0.8241 Intermediate Similarity NPD6008 Approved
0.8235 Intermediate Similarity NPD6399 Phase 3
0.8208 Intermediate Similarity NPD5223 Approved
0.8198 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.819 Intermediate Similarity NPD5696 Approved
0.8158 Intermediate Similarity NPD6009 Approved
0.8131 Intermediate Similarity NPD5211 Phase 2
0.8131 Intermediate Similarity NPD5225 Approved
0.8131 Intermediate Similarity NPD5224 Approved
0.8131 Intermediate Similarity NPD5226 Approved
0.8131 Intermediate Similarity NPD4633 Approved
0.8103 Intermediate Similarity NPD6319 Approved
0.8095 Intermediate Similarity NPD4755 Approved
0.8087 Intermediate Similarity NPD6335 Approved
0.8077 Intermediate Similarity NPD5210 Approved
0.8077 Intermediate Similarity NPD4629 Approved
0.8077 Intermediate Similarity NPD5695 Phase 3
0.8056 Intermediate Similarity NPD5175 Approved
0.8056 Intermediate Similarity NPD5174 Approved
0.8034 Intermediate Similarity NPD5983 Phase 2
0.802 Intermediate Similarity NPD6672 Approved
0.802 Intermediate Similarity NPD5737 Approved
0.8017 Intermediate Similarity NPD7101 Approved
0.8017 Intermediate Similarity NPD7100 Approved
0.8 Intermediate Similarity NPD5222 Approved
0.8 Intermediate Similarity NPD7521 Approved
0.8 Intermediate Similarity NPD5221 Approved
0.8 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7146 Approved
0.8 Intermediate Similarity NPD6684 Approved
0.8 Intermediate Similarity NPD5330 Approved
0.8 Intermediate Similarity NPD6317 Approved
0.8 Intermediate Similarity NPD6409 Approved
0.8 Intermediate Similarity NPD7334 Approved
0.7983 Intermediate Similarity NPD7492 Approved
0.7982 Intermediate Similarity NPD5141 Approved
0.7961 Intermediate Similarity NPD6079 Approved
0.7949 Intermediate Similarity NPD6054 Approved
0.7946 Intermediate Similarity NPD4634 Approved
0.7944 Intermediate Similarity NPD4700 Approved
0.7941 Intermediate Similarity NPD6080 Approved
0.7941 Intermediate Similarity NPD6904 Approved
0.7941 Intermediate Similarity NPD6673 Approved
0.7941 Intermediate Similarity NPD4753 Phase 2
0.7934 Intermediate Similarity NPD7736 Approved
0.7931 Intermediate Similarity NPD6314 Approved
0.7931 Intermediate Similarity NPD6313 Approved
0.7925 Intermediate Similarity NPD5173 Approved
0.7917 Intermediate Similarity NPD6616 Approved
0.7917 Intermediate Similarity NPD6336 Discontinued
0.7913 Intermediate Similarity NPD6274 Approved
0.7905 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7851 Intermediate Similarity NPD7078 Approved
0.7843 Intermediate Similarity NPD6903 Approved
0.7843 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.783 Intermediate Similarity NPD4697 Phase 3
0.7815 Intermediate Similarity NPD6370 Approved
0.78 Intermediate Similarity NPD3665 Phase 1
0.78 Intermediate Similarity NPD3133 Approved
0.78 Intermediate Similarity NPD3666 Approved
0.7788 Intermediate Similarity NPD5284 Approved
0.7788 Intermediate Similarity NPD5281 Approved
0.7768 Intermediate Similarity NPD4729 Approved
0.7768 Intermediate Similarity NPD4730 Approved
0.7767 Intermediate Similarity NPD5328 Approved
0.7759 Intermediate Similarity NPD6868 Approved
0.7731 Intermediate Similarity NPD6015 Approved
0.7731 Intermediate Similarity NPD6016 Approved
0.7727 Intermediate Similarity NPD4754 Approved
0.7723 Intermediate Similarity NPD5329 Approved
0.7705 Intermediate Similarity NPD8293 Discontinued
0.7679 Intermediate Similarity NPD6412 Phase 2
0.7667 Intermediate Similarity NPD5988 Approved
0.7647 Intermediate Similarity NPD6059 Approved
0.7647 Intermediate Similarity NPD6098 Approved
0.7647 Intermediate Similarity NPD5690 Phase 2
0.7632 Intermediate Similarity NPD5251 Approved
0.7632 Intermediate Similarity NPD5250 Approved
0.7632 Intermediate Similarity NPD5249 Phase 3
0.7632 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD5247 Approved
0.7632 Intermediate Similarity NPD5169 Approved
0.7632 Intermediate Similarity NPD5248 Approved
0.7632 Intermediate Similarity NPD5135 Approved
0.7624 Intermediate Similarity NPD4197 Approved
0.7624 Intermediate Similarity NPD4786 Approved
0.7619 Intermediate Similarity NPD5694 Approved
0.7619 Intermediate Similarity NPD6050 Approved
0.7619 Intermediate Similarity NPD5693 Phase 1
0.7611 Intermediate Similarity NPD5128 Approved
0.7593 Intermediate Similarity NPD7902 Approved
0.7589 Intermediate Similarity NPD4768 Approved
0.7589 Intermediate Similarity NPD4767 Approved
0.7583 Intermediate Similarity NPD6908 Approved
0.7583 Intermediate Similarity NPD6909 Approved
0.7565 Intermediate Similarity NPD5217 Approved
0.7565 Intermediate Similarity NPD5215 Approved
0.7565 Intermediate Similarity NPD5127 Approved
0.7565 Intermediate Similarity NPD5216 Approved
0.7547 Intermediate Similarity NPD4202 Approved
0.7542 Intermediate Similarity NPD7115 Discovery
0.7524 Intermediate Similarity NPD5692 Phase 3
0.7523 Intermediate Similarity NPD7638 Approved
0.75 Intermediate Similarity NPD6053 Discontinued
0.7477 Intermediate Similarity NPD6001 Approved
0.7477 Intermediate Similarity NPD7748 Approved
0.7476 Intermediate Similarity NPD5279 Phase 3
0.7476 Intermediate Similarity NPD3618 Phase 1
0.7455 Intermediate Similarity NPD7639 Approved
0.7455 Intermediate Similarity NPD7640 Approved
0.7426 Intermediate Similarity NPD4223 Phase 3
0.7426 Intermediate Similarity NPD3667 Approved
0.7426 Intermediate Similarity NPD4221 Approved
0.7373 Intermediate Similarity NPD5167 Approved
0.7368 Intermediate Similarity NPD6614 Approved
0.7358 Intermediate Similarity NPD5207 Approved
0.7333 Intermediate Similarity NPD5208 Approved
0.7315 Intermediate Similarity NPD7900 Approved
0.7315 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD4694 Approved
0.7308 Intermediate Similarity NPD5280 Approved
0.7304 Intermediate Similarity NPD5168 Approved
0.729 Intermediate Similarity NPD8034 Phase 2
0.729 Intermediate Similarity NPD7515 Phase 2
0.729 Intermediate Similarity NPD8035 Phase 2
0.7273 Intermediate Similarity NPD5959 Approved
0.7255 Intermediate Similarity NPD6435 Approved
0.7228 Intermediate Similarity NPD4695 Discontinued
0.7222 Intermediate Similarity NPD6033 Approved
0.7196 Intermediate Similarity NPD5785 Approved
0.7184 Intermediate Similarity NPD4788 Approved
0.7177 Intermediate Similarity NPD8328 Phase 3
0.7168 Intermediate Similarity NPD5091 Approved
0.7143 Intermediate Similarity NPD4690 Approved
0.7143 Intermediate Similarity NPD4689 Approved
0.7143 Intermediate Similarity NPD4693 Phase 3
0.7143 Intermediate Similarity NPD5205 Approved
0.7143 Intermediate Similarity NPD4138 Approved
0.7143 Intermediate Similarity NPD4688 Approved
0.7143 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD4522 Approved
0.713 Intermediate Similarity NPD6411 Approved
0.7129 Intermediate Similarity NPD4195 Approved
0.7121 Intermediate Similarity NPD6334 Approved
0.7121 Intermediate Similarity NPD6333 Approved
0.7103 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5654 Approved
0.7075 Intermediate Similarity NPD3573 Approved
0.7064 Intermediate Similarity NPD5133 Approved
0.7063 Intermediate Similarity NPD7507 Approved
0.7059 Intermediate Similarity NPD5368 Approved
0.7054 Intermediate Similarity NPD7260 Phase 2
0.7048 Intermediate Similarity NPD5363 Approved
0.7034 Intermediate Similarity NPD6371 Approved
0.703 Intermediate Similarity NPD3617 Approved
0.7009 Intermediate Similarity NPD6686 Approved
0.699 Remote Similarity NPD5369 Approved
0.6981 Remote Similarity NPD5786 Approved
0.6977 Remote Similarity NPD5956 Approved
0.6972 Remote Similarity NPD7637 Suspended
0.6957 Remote Similarity NPD6052 Approved
0.6952 Remote Similarity NPD3668 Phase 3
0.6944 Remote Similarity NPD6101 Approved
0.6944 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6937 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5779 Approved

Structure

External Identifiers

PubChem CID   57331958
ChEMBL   CHEMBL1941152
ZINC  

Physicochemical Properties

Molecular Weight:  526.33
ALogP:  0.4692
MLogP:  4.32
XLogP:  5.398
# Rotatable Bonds:  16
Polar Surface Area:  100.9
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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