Natural Product: NPC308351

Natural Product ID:  NPC308351
Common Name:   n.a.
IUPAC Name:  
Synonyms:   26-Deoxyneoboutomellerone
Molecular Formula:   C34H48O6
Standard InCHIKey:  PVMOACIZALDGDN-HPQDOARJSA-N
Standard InCHI:  InChI=1S/C34H48O6/c1-18(2)19(3)29(38)30(40-23(7)36)21(5)28-26(39-22(6)35)16-32(9)27-11-10-24-20(4)25(37)12-13-33(24)17-34(27,33)15-14-31(28,32)8/h12-13,18,20-21,24,26-28,30H,3,10-11,14-17H2,1-2,4-9H3/t20-,21-,24-,26-,27-,28-,30+,31+,32-,33+,34-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@]2([C@]([C@H]1[C@@H]([C@H](C(=O)C(=C)C(C)C)OC(=O)C)C)(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)C=CC(=O)[C@H]2C)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 FC = 19 17958396
NPT2 Others Unspecified FC = 74 27161176
NPT2 Others Unspecified FC = 19 20408555
NPT2 Others Unspecified IC50 > 1000000 nM 18565749
NPT2 Others Unspecified FC = 7.2 10.6019/CHEMBL1201861
NPT2 Others Unspecified FC = 7.2 18293924
NPT2 Others Unspecified FC = 74 18955514
NPT2 Others Unspecified IC50 > 1000000 nM 18077425

  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 NPC308351 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 NPC271266
0.9691 High Similarity NPC470267
0.9495 High Similarity NPC470269
0.949 High Similarity NPC181265
0.9388 High Similarity NPC235889
0.9216 High Similarity NPC118860
0.9216 High Similarity NPC214797
0.9216 High Similarity NPC231589
0.9208 High Similarity NPC258543
0.9208 High Similarity NPC241927
0.9126 High Similarity NPC170487
0.8942 High Similarity NPC71348
0.8868 High Similarity NPC270958
0.8704 High Similarity NPC118638
0.8679 High Similarity NPC202889
0.866 High Similarity NPC294266
0.8646 High Similarity NPC218301
0.8641 High Similarity NPC44063
0.8632 High Similarity NPC305039
0.8544 High Similarity NPC475571
0.8511 High Similarity NPC195640
0.85 High Similarity NPC176845
0.8485 Intermediate Similarity NPC111684
0.8485 Intermediate Similarity NPC58052
0.8476 Intermediate Similarity NPC2766
0.8462 Intermediate Similarity NPC475294
0.8447 Intermediate Similarity NPC310586
0.8431 Intermediate Similarity NPC15396
0.8411 Intermediate Similarity NPC475524
0.8411 Intermediate Similarity NPC100267
0.8404 Intermediate Similarity NPC323765
0.8396 Intermediate Similarity NPC197428
0.8384 Intermediate Similarity NPC33473
0.8367 Intermediate Similarity NPC477361
0.8367 Intermediate Similarity NPC202824
0.8367 Intermediate Similarity NPC79117
0.8333 Intermediate Similarity NPC310981
0.8318 Intermediate Similarity NPC43775
0.8316 Intermediate Similarity NPC264127
0.83 Intermediate Similarity NPC477354
0.8269 Intermediate Similarity NPC228669
0.8269 Intermediate Similarity NPC164835
0.8241 Intermediate Similarity NPC221144
0.8218 Intermediate Similarity NPC226986
0.8218 Intermediate Similarity NPC292133
0.8218 Intermediate Similarity NPC23680
0.8208 Intermediate Similarity NPC94529
0.82 Intermediate Similarity NPC470974
0.82 Intermediate Similarity NPC470978
0.82 Intermediate Similarity NPC469599
0.819 Intermediate Similarity NPC265127
0.819 Intermediate Similarity NPC470309
0.8182 Intermediate Similarity NPC148458
0.8182 Intermediate Similarity NPC109414
0.8155 Intermediate Similarity NPC99411
0.8144 Intermediate Similarity NPC472220
0.8144 Intermediate Similarity NPC28227
0.8144 Intermediate Similarity NPC97884
0.8137 Intermediate Similarity NPC197386
0.8137 Intermediate Similarity NPC275439
0.8137 Intermediate Similarity NPC98868
0.8137 Intermediate Similarity NPC471582
0.8137 Intermediate Similarity NPC112753
0.8131 Intermediate Similarity NPC304495
0.8119 Intermediate Similarity NPC42042
0.8108 Intermediate Similarity NPC239273
0.8108 Intermediate Similarity NPC471854
0.8095 Intermediate Similarity NPC137657
0.8085 Intermediate Similarity NPC100297
0.8081 Intermediate Similarity NPC154101
0.8077 Intermediate Similarity NPC87351
0.8077 Intermediate Similarity NPC473928
0.8073 Intermediate Similarity NPC264634
0.8061 Intermediate Similarity NPC177141
0.8058 Intermediate Similarity NPC144956
0.8039 Intermediate Similarity NPC87090
0.8039 Intermediate Similarity NPC216904
0.8037 Intermediate Similarity NPC211224
0.8036 Intermediate Similarity NPC257457
0.8036 Intermediate Similarity NPC311554
0.8019 Intermediate Similarity NPC196528
0.8019 Intermediate Similarity NPC231530
0.8019 Intermediate Similarity NPC278628
0.8 Intermediate Similarity NPC236390
0.8 Intermediate Similarity NPC311612
0.8 Intermediate Similarity NPC36321
0.7982 Intermediate Similarity NPC470281
0.7981 Intermediate Similarity NPC476240
0.7981 Intermediate Similarity NPC224720
0.7981 Intermediate Similarity NPC477356
0.7981 Intermediate Similarity NPC474327
0.7981 Intermediate Similarity NPC476223
0.798 Intermediate Similarity NPC474842
0.798 Intermediate Similarity NPC475965
0.7961 Intermediate Similarity NPC222011
0.7961 Intermediate Similarity NPC271387
0.7961 Intermediate Similarity NPC252295
0.7961 Intermediate Similarity NPC153792
0.7961 Intermediate Similarity NPC114274
0.7961 Intermediate Similarity NPC477355
0.7944 Intermediate Similarity NPC220974
0.7941 Intermediate Similarity NPC322063
0.7941 Intermediate Similarity NPC328162
0.7941 Intermediate Similarity NPC305483
0.7941 Intermediate Similarity NPC471775
0.7941 Intermediate Similarity NPC96859
0.7925 Intermediate Similarity NPC29705
0.7925 Intermediate Similarity NPC255309
0.7925 Intermediate Similarity NPC189616
0.7925 Intermediate Similarity NPC13385
0.7909 Intermediate Similarity NPC147180
0.7905 Intermediate Similarity NPC195290
0.7905 Intermediate Similarity NPC56498
0.7905 Intermediate Similarity NPC204450
0.7905 Intermediate Similarity NPC118405
0.7905 Intermediate Similarity NPC53222
0.7905 Intermediate Similarity NPC308726
0.7905 Intermediate Similarity NPC119601
0.7905 Intermediate Similarity NPC136289
0.7905 Intermediate Similarity NPC22388
0.79 Intermediate Similarity NPC470113
0.7895 Intermediate Similarity NPC321289
0.7895 Intermediate Similarity NPC327969
0.7885 Intermediate Similarity NPC476274
0.7885 Intermediate Similarity NPC218383
0.7879 Intermediate Similarity NPC477943
0.7879 Intermediate Similarity NPC474570
0.7879 Intermediate Similarity NPC474679
0.7864 Intermediate Similarity NPC57416
0.7864 Intermediate Similarity NPC43747
0.7864 Intermediate Similarity NPC84335
0.7864 Intermediate Similarity NPC18319
0.7864 Intermediate Similarity NPC151488
0.7864 Intermediate Similarity NPC108078
0.7864 Intermediate Similarity NPC69385
0.7864 Intermediate Similarity NPC18509
0.7864 Intermediate Similarity NPC107243
0.7864 Intermediate Similarity NPC38530
0.785 Intermediate Similarity NPC96377
0.785 Intermediate Similarity NPC127790
0.7843 Intermediate Similarity NPC317586
0.7843 Intermediate Similarity NPC293052
0.7843 Intermediate Similarity NPC470016
0.7843 Intermediate Similarity NPC476174
0.7838 Intermediate Similarity NPC472929
0.7838 Intermediate Similarity NPC472926
0.7835 Intermediate Similarity NPC29447
0.7835 Intermediate Similarity NPC470223
0.783 Intermediate Similarity NPC111323
0.783 Intermediate Similarity NPC474330
0.783 Intermediate Similarity NPC474207
0.783 Intermediate Similarity NPC470310
0.783 Intermediate Similarity NPC140723
0.783 Intermediate Similarity NPC470954
0.7822 Intermediate Similarity NPC25750
0.7822 Intermediate Similarity NPC206810
0.7818 Intermediate Similarity NPC470960
0.781 Intermediate Similarity NPC163372
0.781 Intermediate Similarity NPC124211
0.781 Intermediate Similarity NPC81530
0.781 Intermediate Similarity NPC302537
0.78 Intermediate Similarity NPC273199
0.78 Intermediate Similarity NPC471896
0.7798 Intermediate Similarity NPC41405
0.7788 Intermediate Similarity NPC235464
0.7788 Intermediate Similarity NPC477854
0.7788 Intermediate Similarity NPC147954
0.7788 Intermediate Similarity NPC166745
0.7778 Intermediate Similarity NPC470612
0.7778 Intermediate Similarity NPC185
0.7778 Intermediate Similarity NPC470613
0.7778 Intermediate Similarity NPC471601
0.7768 Intermediate Similarity NPC471398
0.7767 Intermediate Similarity NPC328371
0.7767 Intermediate Similarity NPC125622
0.7767 Intermediate Similarity NPC307164
0.7757 Intermediate Similarity NPC135854
0.7757 Intermediate Similarity NPC470251
0.7757 Intermediate Similarity NPC119493
0.7757 Intermediate Similarity NPC216245
0.7757 Intermediate Similarity NPC2436
0.7755 Intermediate Similarity NPC327115
0.7755 Intermediate Similarity NPC220478
0.7755 Intermediate Similarity NPC471042
0.7748 Intermediate Similarity NPC280782
0.7745 Intermediate Similarity NPC471078
0.7745 Intermediate Similarity NPC473435
0.7745 Intermediate Similarity NPC166906
0.7745 Intermediate Similarity NPC473280
0.7745 Intermediate Similarity NPC124207
0.7745 Intermediate Similarity NPC473431
0.7745 Intermediate Similarity NPC56525
0.7736 Intermediate Similarity NPC473163
0.7736 Intermediate Similarity NPC475320
0.7732 Intermediate Similarity NPC109512
0.7732 Intermediate Similarity NPC320801
0.7732 Intermediate Similarity NPC100391
0.7727 Intermediate Similarity NPC473627
0.7723 Intermediate Similarity NPC168027
0.7723 Intermediate Similarity NPC185936

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC308351 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
0.8738 High Similarity NPD6899 Approved
0.8738 High Similarity NPD6881 Approved
0.8723 High Similarity NPD5737 Approved
0.8723 High Similarity NPD6672 Approved
0.8667 High Similarity NPD8130 Phase 1
0.8641 High Similarity NPD5697 Approved
0.8632 High Similarity NPD6673 Approved
0.8632 High Similarity NPD6080 Approved
0.8632 High Similarity NPD6904 Approved
0.8585 High Similarity NPD8297 Approved
0.8571 High Similarity NPD7290 Approved
0.8571 High Similarity NPD6883 Approved
0.8571 High Similarity NPD7102 Approved
0.8558 High Similarity NPD6011 Approved
0.8544 High Similarity NPD6675 Approved
0.8544 High Similarity NPD6402 Approved
0.8544 High Similarity NPD5739 Approved
0.8544 High Similarity NPD7128 Approved
0.8511 High Similarity NPD7334 Approved
0.8511 High Similarity NPD7146 Approved
0.8511 High Similarity NPD6684 Approved
0.8511 High Similarity NPD6409 Approved
0.8511 High Similarity NPD7521 Approved
0.8511 High Similarity NPD5330 Approved
0.8491 Intermediate Similarity NPD6847 Approved
0.8491 Intermediate Similarity NPD6869 Approved
0.8491 Intermediate Similarity NPD6649 Approved
0.8491 Intermediate Similarity NPD6617 Approved
0.8491 Intermediate Similarity NPD6650 Approved
0.8476 Intermediate Similarity NPD6014 Approved
0.8476 Intermediate Similarity NPD6013 Approved
0.8476 Intermediate Similarity NPD6012 Approved
0.8411 Intermediate Similarity NPD6882 Approved
0.84 Intermediate Similarity NPD6084 Phase 2
0.84 Intermediate Similarity NPD6083 Phase 2
0.8381 Intermediate Similarity NPD7320 Approved
0.8333 Intermediate Similarity NPD6903 Approved
0.8333 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8316 Intermediate Similarity NPD6098 Approved
0.8302 Intermediate Similarity NPD6372 Approved
0.8302 Intermediate Similarity NPD6373 Approved
0.8286 Intermediate Similarity NPD5701 Approved
0.8265 Intermediate Similarity NPD5693 Phase 1
0.8265 Intermediate Similarity NPD6050 Approved
0.8265 Intermediate Similarity NPD5694 Approved
0.82 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD5695 Phase 3
0.819 Intermediate Similarity NPD6008 Approved
0.8163 Intermediate Similarity NPD5692 Phase 3
0.8148 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.8137 Intermediate Similarity NPD5696 Approved
0.8058 Intermediate Similarity NPD5286 Approved
0.8058 Intermediate Similarity NPD5285 Approved
0.8058 Intermediate Similarity NPD4696 Approved
0.8036 Intermediate Similarity NPD6335 Approved
0.8 Intermediate Similarity NPD7604 Phase 2
0.8 Intermediate Similarity NPD6399 Phase 3
0.7981 Intermediate Similarity NPD5223 Approved
0.7965 Intermediate Similarity NPD7100 Approved
0.7965 Intermediate Similarity NPD7101 Approved
0.7946 Intermediate Similarity NPD6317 Approved
0.7905 Intermediate Similarity NPD5225 Approved
0.7905 Intermediate Similarity NPD5226 Approved
0.7905 Intermediate Similarity NPD4633 Approved
0.7905 Intermediate Similarity NPD5224 Approved
0.7905 Intermediate Similarity NPD5211 Phase 2
0.7876 Intermediate Similarity NPD6313 Approved
0.7876 Intermediate Similarity NPD6314 Approved
0.7864 Intermediate Similarity NPD5959 Approved
0.7864 Intermediate Similarity NPD4755 Approved
0.7857 Intermediate Similarity NPD6274 Approved
0.7838 Intermediate Similarity NPD4632 Approved
0.783 Intermediate Similarity NPD5175 Approved
0.783 Intermediate Similarity NPD5174 Approved
0.7788 Intermediate Similarity NPD6009 Approved
0.7778 Intermediate Similarity NPD6614 Approved
0.7778 Intermediate Similarity NPD5208 Approved
0.7767 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7767 Intermediate Similarity NPD5222 Approved
0.7767 Intermediate Similarity NPD5221 Approved
0.7757 Intermediate Similarity NPD5141 Approved
0.7745 Intermediate Similarity NPD6001 Approved
0.7739 Intermediate Similarity NPD6319 Approved
0.7723 Intermediate Similarity NPD6079 Approved
0.7714 Intermediate Similarity NPD4700 Approved
0.77 Intermediate Similarity NPD4753 Phase 2
0.7699 Intermediate Similarity NPD6868 Approved
0.7692 Intermediate Similarity NPD5173 Approved
0.7672 Intermediate Similarity NPD5983 Phase 2
0.767 Intermediate Similarity NPD5654 Approved
0.767 Intermediate Similarity NPD5210 Approved
0.767 Intermediate Similarity NPD4629 Approved
0.7653 Intermediate Similarity NPD5329 Approved
0.7627 Intermediate Similarity NPD7492 Approved
0.7624 Intermediate Similarity NPD5207 Approved
0.7586 Intermediate Similarity NPD6054 Approved
0.7583 Intermediate Similarity NPD7736 Approved
0.7576 Intermediate Similarity NPD5690 Phase 2
0.7573 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD7900 Approved
0.7563 Intermediate Similarity NPD6336 Discontinued
0.7563 Intermediate Similarity NPD6616 Approved
0.7551 Intermediate Similarity NPD3665 Phase 1
0.7551 Intermediate Similarity NPD3666 Approved
0.7551 Intermediate Similarity NPD3133 Approved
0.7551 Intermediate Similarity NPD4197 Approved
0.7549 Intermediate Similarity NPD5284 Approved
0.7549 Intermediate Similarity NPD5281 Approved
0.7545 Intermediate Similarity NPD4729 Approved
0.7545 Intermediate Similarity NPD4730 Approved
0.7525 Intermediate Similarity NPD5328 Approved
0.7521 Intermediate Similarity NPD6909 Approved
0.7521 Intermediate Similarity NPD6908 Approved
0.7521 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3573 Approved
0.75 Intermediate Similarity NPD7078 Approved
0.75 Intermediate Similarity NPD4754 Approved
0.7458 Intermediate Similarity NPD6370 Approved
0.7429 Intermediate Similarity NPD4697 Phase 3
0.7411 Intermediate Similarity NPD4634 Approved
0.7411 Intermediate Similarity NPD5251 Approved
0.7411 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD5249 Phase 3
0.7411 Intermediate Similarity NPD5247 Approved
0.7411 Intermediate Similarity NPD5169 Approved
0.7411 Intermediate Similarity NPD5135 Approved
0.7411 Intermediate Similarity NPD5248 Approved
0.7411 Intermediate Similarity NPD5250 Approved
0.7404 Intermediate Similarity NPD7748 Approved
0.7387 Intermediate Similarity NPD5128 Approved
0.7374 Intermediate Similarity NPD4786 Approved
0.7373 Intermediate Similarity NPD6015 Approved
0.7373 Intermediate Similarity NPD6016 Approved
0.7364 Intermediate Similarity NPD4767 Approved
0.7364 Intermediate Similarity NPD4768 Approved
0.7358 Intermediate Similarity NPD7902 Approved
0.7355 Intermediate Similarity NPD8293 Discontinued
0.7347 Intermediate Similarity NPD4223 Phase 3
0.7347 Intermediate Similarity NPD4221 Approved
0.7345 Intermediate Similarity NPD5217 Approved
0.7345 Intermediate Similarity NPD5215 Approved
0.7345 Intermediate Similarity NPD5127 Approved
0.7345 Intermediate Similarity NPD5216 Approved
0.7311 Intermediate Similarity NPD5988 Approved
0.7308 Intermediate Similarity NPD4202 Approved
0.7288 Intermediate Similarity NPD6059 Approved
0.7228 Intermediate Similarity NPD5279 Phase 3
0.7228 Intermediate Similarity NPD4694 Approved
0.7228 Intermediate Similarity NPD5280 Approved
0.72 Intermediate Similarity NPD3668 Phase 3
0.7184 Intermediate Similarity NPD6051 Approved
0.7182 Intermediate Similarity NPD6052 Approved
0.7179 Intermediate Similarity NPD7115 Discovery
0.7172 Intermediate Similarity NPD3667 Approved
0.7172 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD5167 Approved
0.7143 Intermediate Similarity NPD6412 Phase 2
0.7143 Intermediate Similarity NPD4695 Discontinued
0.708 Intermediate Similarity NPD5168 Approved
0.7059 Intermediate Similarity NPD4689 Approved
0.7059 Intermediate Similarity NPD4690 Approved
0.7059 Intermediate Similarity NPD5205 Approved
0.7059 Intermediate Similarity NPD4138 Approved
0.7059 Intermediate Similarity NPD4688 Approved
0.7059 Intermediate Similarity NPD3618 Phase 1
0.7059 Intermediate Similarity NPD4693 Phase 3
0.7048 Intermediate Similarity NPD8034 Phase 2
0.7048 Intermediate Similarity NPD8035 Phase 2
0.7048 Intermediate Similarity NPD7515 Phase 2
0.7041 Intermediate Similarity NPD4195 Approved
0.7019 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6435 Approved
0.6983 Remote Similarity NPD6053 Discontinued
0.6981 Remote Similarity NPD5133 Approved
0.6972 Remote Similarity NPD7638 Approved
0.6961 Remote Similarity NPD1694 Approved
0.6944 Remote Similarity NPD7732 Phase 3
0.6939 Remote Similarity NPD3617 Approved
0.6937 Remote Similarity NPD5091 Approved
0.6931 Remote Similarity NPD4788 Approved
0.6923 Remote Similarity NPD7094 Approved
0.6923 Remote Similarity NPD6858 Approved
0.6915 Remote Similarity NPD4691 Approved
0.6915 Remote Similarity NPD4747 Approved
0.6909 Remote Similarity NPD7639 Approved
0.6909 Remote Similarity NPD7640 Approved
0.6893 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6411 Approved
0.688 Remote Similarity NPD6033 Approved
0.6875 Remote Similarity NPD4058 Approved
0.6842 Remote Similarity NPD5777 Approved
0.6809 Remote Similarity NPD4137 Phase 3
0.68 Remote Similarity NPD5368 Approved
0.6794 Remote Similarity NPD6333 Approved
0.6794 Remote Similarity NPD6334 Approved
0.6792 Remote Similarity NPD5785 Approved
0.6701 Remote Similarity NPD4687 Approved
0.6701 Remote Similarity NPD5733 Approved
0.6698 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6698 Remote Similarity NPD6101 Approved

Structure

External Identifiers

PubChem CID   57332231
ChEMBL   CHEMBL1941161
ZINC  

Physicochemical Properties

Molecular Weight:  552.35
ALogP:  1.7365
MLogP:  4.54
XLogP:  7.692
# Rotatable Bonds:  17
Polar Surface Area:  86.74
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  40

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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