Natural Product: NPC472746

Natural Product ID:  NPC472746
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O2
Standard InCHIKey:  CBERMJGZJKAJQG-QKAWHGFOSA-N
Standard InCHI:  InChI=1S/C20H32O2/c1-6-19(4)11-13-7-8-15-18(2,3)16(22)9-10-20(15,5)17(13)14(21)12-19/h6,13,15-17,22H,1,7-12H2,2-5H3/t13-,15-,16-,17+,19+,20-/m0/s1
Canonical SMILES:  C=C[C@]1(C)C[C@@H]2CC[C@@H]3[C@]([C@H]2C(=O)C1)(C)CC[C@@H](C3(C)C)O
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
NPO32573 dysoxylum gotadhora Species Meliaceae Eukaryota Leaves and Twigs PMID[25945867]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 19.8 % 10.1016/j.cropro.2006.02.001
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 25.6 % 10.1016/j.cropro.2006.02.001
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 41.5 % 1507204
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 63.8 % 3172137
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 92.4 % 20614907
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 14500 nM 2553871

  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 NPC472746 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
0.9306 High Similarity NPC162164
0.9041 High Similarity NPC38426
0.88 High Similarity NPC104806
0.875 High Similarity NPC133954
0.875 High Similarity NPC210323
0.8734 High Similarity NPC475726
0.8734 High Similarity NPC472743
0.8718 High Similarity NPC328264
0.8684 High Similarity NPC149249
0.8642 High Similarity NPC475862
0.8642 High Similarity NPC74363
0.8642 High Similarity NPC213412
0.8625 High Similarity NPC474482
0.8625 High Similarity NPC475745
0.8611 High Similarity NPC2648
0.8608 High Similarity NPC48362
0.8537 High Similarity NPC73064
0.8519 High Similarity NPC76518
0.8519 High Similarity NPC292553
0.85 High Similarity NPC291320
0.85 High Similarity NPC471036
0.8462 Intermediate Similarity NPC476812
0.8434 Intermediate Similarity NPC193360
0.8434 Intermediate Similarity NPC472802
0.8415 Intermediate Similarity NPC95594
0.8415 Intermediate Similarity NPC472738
0.8415 Intermediate Similarity NPC72638
0.8415 Intermediate Similarity NPC158393
0.8415 Intermediate Similarity NPC235341
0.8415 Intermediate Similarity NPC477579
0.84 Intermediate Similarity NPC282905
0.84 Intermediate Similarity NPC68426
0.84 Intermediate Similarity NPC477229
0.84 Intermediate Similarity NPC232112
0.8395 Intermediate Similarity NPC74595
0.8395 Intermediate Similarity NPC180834
0.8395 Intermediate Similarity NPC474233
0.8395 Intermediate Similarity NPC146683
0.8395 Intermediate Similarity NPC264665
0.8375 Intermediate Similarity NPC110780
0.8354 Intermediate Similarity NPC164999
0.8353 Intermediate Similarity NPC272746
0.8353 Intermediate Similarity NPC473167
0.8333 Intermediate Similarity NPC69627
0.8313 Intermediate Similarity NPC68160
0.8313 Intermediate Similarity NPC102683
0.8313 Intermediate Similarity NPC142415
0.8313 Intermediate Similarity NPC51700
0.8313 Intermediate Similarity NPC242468
0.8313 Intermediate Similarity NPC4643
0.8313 Intermediate Similarity NPC171203
0.8313 Intermediate Similarity NPC18064
0.8313 Intermediate Similarity NPC141292
0.8313 Intermediate Similarity NPC307426
0.8313 Intermediate Similarity NPC98442
0.8313 Intermediate Similarity NPC293564
0.8313 Intermediate Similarity NPC130577
0.8313 Intermediate Similarity NPC57469
0.8313 Intermediate Similarity NPC88716
0.8293 Intermediate Similarity NPC294438
0.8293 Intermediate Similarity NPC471034
0.8293 Intermediate Similarity NPC470574
0.8293 Intermediate Similarity NPC190704
0.8293 Intermediate Similarity NPC264317
0.8289 Intermediate Similarity NPC159325
0.8289 Intermediate Similarity NPC168511
0.8272 Intermediate Similarity NPC118800
0.8267 Intermediate Similarity NPC156277
0.8267 Intermediate Similarity NPC58057
0.8267 Intermediate Similarity NPC89310
0.8267 Intermediate Similarity NPC320549
0.8267 Intermediate Similarity NPC151018
0.825 Intermediate Similarity NPC3915
0.825 Intermediate Similarity NPC473217
0.825 Intermediate Similarity NPC14151
0.8243 Intermediate Similarity NPC213178
0.8243 Intermediate Similarity NPC131892
0.8243 Intermediate Similarity NPC6120
0.8243 Intermediate Similarity NPC327728
0.8235 Intermediate Similarity NPC291028
0.8235 Intermediate Similarity NPC85173
0.8235 Intermediate Similarity NPC126993
0.8228 Intermediate Similarity NPC201459
0.8228 Intermediate Similarity NPC474113
0.8219 Intermediate Similarity NPC472984
0.8214 Intermediate Similarity NPC182797
0.8214 Intermediate Similarity NPC474719
0.8214 Intermediate Similarity NPC40552
0.8214 Intermediate Similarity NPC310752
0.8214 Intermediate Similarity NPC181225
0.8214 Intermediate Similarity NPC52169
0.8214 Intermediate Similarity NPC246708
0.8214 Intermediate Similarity NPC474677
0.8214 Intermediate Similarity NPC474512
0.8214 Intermediate Similarity NPC206060
0.8214 Intermediate Similarity NPC473242
0.8214 Intermediate Similarity NPC292491
0.8214 Intermediate Similarity NPC290690
0.8214 Intermediate Similarity NPC470629
0.8214 Intermediate Similarity NPC472739
0.8214 Intermediate Similarity NPC17733
0.8205 Intermediate Similarity NPC476811
0.8205 Intermediate Similarity NPC106078
0.8205 Intermediate Similarity NPC474433
0.8193 Intermediate Similarity NPC187545
0.8193 Intermediate Similarity NPC471737
0.8193 Intermediate Similarity NPC98236
0.8193 Intermediate Similarity NPC73038
0.8193 Intermediate Similarity NPC34190
0.8193 Intermediate Similarity NPC269396
0.8193 Intermediate Similarity NPC325594
0.8193 Intermediate Similarity NPC12774
0.8193 Intermediate Similarity NPC2783
0.8182 Intermediate Similarity NPC267753
0.8182 Intermediate Similarity NPC97534
0.8182 Intermediate Similarity NPC174964
0.8182 Intermediate Similarity NPC273366
0.8182 Intermediate Similarity NPC195155
0.8171 Intermediate Similarity NPC171789
0.8171 Intermediate Similarity NPC59453
0.8171 Intermediate Similarity NPC221758
0.8161 Intermediate Similarity NPC471207
0.8161 Intermediate Similarity NPC209662
0.8158 Intermediate Similarity NPC81759
0.8148 Intermediate Similarity NPC163236
0.8148 Intermediate Similarity NPC310989
0.8148 Intermediate Similarity NPC477858
0.8148 Intermediate Similarity NPC145143
0.8148 Intermediate Similarity NPC73882
0.8148 Intermediate Similarity NPC151519
0.814 Intermediate Similarity NPC105189
0.814 Intermediate Similarity NPC233455
0.814 Intermediate Similarity NPC4036
0.814 Intermediate Similarity NPC301244
0.814 Intermediate Similarity NPC65120
0.814 Intermediate Similarity NPC145067
0.814 Intermediate Similarity NPC158030
0.814 Intermediate Similarity NPC474525
0.8125 Intermediate Similarity NPC2482
0.8125 Intermediate Similarity NPC469637
0.8118 Intermediate Similarity NPC59263
0.8118 Intermediate Similarity NPC198664
0.8118 Intermediate Similarity NPC270768
0.8118 Intermediate Similarity NPC95246
0.8118 Intermediate Similarity NPC474972
0.8118 Intermediate Similarity NPC469319
0.8118 Intermediate Similarity NPC293048
0.8118 Intermediate Similarity NPC25906
0.8118 Intermediate Similarity NPC229871
0.8118 Intermediate Similarity NPC64872
0.8118 Intermediate Similarity NPC234346
0.8118 Intermediate Similarity NPC127689
0.8118 Intermediate Similarity NPC143232
0.8118 Intermediate Similarity NPC274330
0.8118 Intermediate Similarity NPC121798
0.8118 Intermediate Similarity NPC263393
0.8118 Intermediate Similarity NPC130520
0.8118 Intermediate Similarity NPC290972
0.8118 Intermediate Similarity NPC61543
0.8118 Intermediate Similarity NPC470588
0.8118 Intermediate Similarity NPC225585
0.8118 Intermediate Similarity NPC161751
0.8101 Intermediate Similarity NPC476810
0.8095 Intermediate Similarity NPC165895
0.8095 Intermediate Similarity NPC269360
0.8095 Intermediate Similarity NPC153604
0.8095 Intermediate Similarity NPC174619
0.8095 Intermediate Similarity NPC264005
0.8095 Intermediate Similarity NPC142361
0.8095 Intermediate Similarity NPC71507
0.8095 Intermediate Similarity NPC469317
0.8095 Intermediate Similarity NPC475740
0.8095 Intermediate Similarity NPC469314
0.8095 Intermediate Similarity NPC298904
0.8095 Intermediate Similarity NPC472497
0.8095 Intermediate Similarity NPC58063
0.8095 Intermediate Similarity NPC259009
0.8095 Intermediate Similarity NPC241875
0.8095 Intermediate Similarity NPC33768
0.8095 Intermediate Similarity NPC474684
0.8095 Intermediate Similarity NPC472495
0.8077 Intermediate Similarity NPC198473
0.8077 Intermediate Similarity NPC475742
0.8077 Intermediate Similarity NPC472487
0.8077 Intermediate Similarity NPC5767
0.8077 Intermediate Similarity NPC472486
0.8077 Intermediate Similarity NPC108840
0.8072 Intermediate Similarity NPC102292
0.8072 Intermediate Similarity NPC274724
0.8052 Intermediate Similarity NPC254340
0.8052 Intermediate Similarity NPC130011
0.8052 Intermediate Similarity NPC255168
0.8049 Intermediate Similarity NPC471037
0.8046 Intermediate Similarity NPC214756
0.8046 Intermediate Similarity NPC295643
0.8046 Intermediate Similarity NPC272075
0.8046 Intermediate Similarity NPC12722
0.8025 Intermediate Similarity NPC103754
0.8025 Intermediate Similarity NPC48673
0.8025 Intermediate Similarity NPC20096

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472746 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
0.8293 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8267 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.8267 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.8243 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.8243 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.8193 Intermediate Similarity NPD3618 Phase 1
0.8171 Intermediate Similarity NPD4786 Approved
0.8148 Intermediate Similarity NPD3667 Approved
0.814 Intermediate Similarity NPD7515 Phase 2
0.814 Intermediate Similarity NPD6079 Approved
0.8118 Intermediate Similarity NPD5328 Approved
0.7949 Intermediate Similarity NPD3703 Phase 2
0.7895 Intermediate Similarity NPD4245 Approved
0.7895 Intermediate Similarity NPD4244 Approved
0.7848 Intermediate Similarity NPD6117 Approved
0.7831 Intermediate Similarity NPD4788 Approved
0.7821 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD3698 Phase 2
0.7753 Intermediate Similarity NPD7748 Approved
0.775 Intermediate Similarity NPD6116 Phase 1
0.7738 Intermediate Similarity NPD3665 Phase 1
0.7738 Intermediate Similarity NPD3666 Approved
0.7738 Intermediate Similarity NPD3133 Approved
0.7662 Intermediate Similarity NPD4789 Approved
0.7654 Intermediate Similarity NPD6114 Approved
0.7654 Intermediate Similarity NPD6115 Approved
0.7654 Intermediate Similarity NPD6118 Approved
0.7654 Intermediate Similarity NPD6697 Approved
0.764 Intermediate Similarity NPD4202 Approved
0.7632 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD5360 Phase 3
0.7582 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD5222 Approved
0.7582 Intermediate Similarity NPD5221 Approved
0.7561 Intermediate Similarity NPD7645 Phase 2
0.7528 Intermediate Similarity NPD8035 Phase 2
0.7528 Intermediate Similarity NPD8034 Phase 2
0.75 Intermediate Similarity NPD5173 Approved
0.75 Intermediate Similarity NPD7902 Approved
0.747 Intermediate Similarity NPD7525 Registered
0.7467 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD3671 Phase 1
0.7391 Intermediate Similarity NPD4697 Phase 3
0.734 Intermediate Similarity NPD5285 Approved
0.734 Intermediate Similarity NPD5286 Approved
0.734 Intermediate Similarity NPD4696 Approved
0.7326 Intermediate Similarity NPD3668 Phase 3
0.7312 Intermediate Similarity NPD4755 Approved
0.7263 Intermediate Similarity NPD5223 Approved
0.7253 Intermediate Similarity NPD6399 Phase 3
0.7188 Intermediate Similarity NPD5211 Phase 2
0.7188 Intermediate Similarity NPD5225 Approved
0.7188 Intermediate Similarity NPD5226 Approved
0.7188 Intermediate Similarity NPD4633 Approved
0.7188 Intermediate Similarity NPD5224 Approved
0.7174 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD7900 Approved
0.7159 Intermediate Similarity NPD5279 Phase 3
0.7159 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD4700 Approved
0.7143 Intermediate Similarity NPD4224 Phase 2
0.7125 Intermediate Similarity NPD4758 Discontinued
0.7113 Intermediate Similarity NPD5175 Approved
0.7113 Intermediate Similarity NPD5174 Approved
0.7111 Intermediate Similarity NPD4753 Phase 2
0.7093 Intermediate Similarity NPD4221 Approved
0.7093 Intermediate Similarity NPD4223 Phase 3
0.7073 Intermediate Similarity NPD7339 Approved
0.7073 Intermediate Similarity NPD6942 Approved
0.7059 Intermediate Similarity NPD4695 Discontinued
0.7053 Intermediate Similarity NPD7638 Approved
0.7045 Intermediate Similarity NPD5329 Approved
0.7041 Intermediate Similarity NPD5141 Approved
0.7024 Intermediate Similarity NPD3617 Approved
0.7 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6881 Approved
0.7 Intermediate Similarity NPD6899 Approved
0.7 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6979 Remote Similarity NPD7639 Approved
0.6979 Remote Similarity NPD7640 Approved
0.697 Remote Similarity NPD6675 Approved
0.697 Remote Similarity NPD7128 Approved
0.697 Remote Similarity NPD6402 Approved
0.697 Remote Similarity NPD5739 Approved
0.6966 Remote Similarity NPD7146 Approved
0.6966 Remote Similarity NPD7334 Approved
0.6966 Remote Similarity NPD6684 Approved
0.6966 Remote Similarity NPD4623 Approved
0.6966 Remote Similarity NPD5330 Approved
0.6966 Remote Similarity NPD7521 Approved
0.6966 Remote Similarity NPD6409 Approved
0.6966 Remote Similarity NPD4519 Discontinued
0.6939 Remote Similarity NPD4754 Approved
0.6932 Remote Similarity NPD4197 Approved
0.6923 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6915 Remote Similarity NPD4629 Approved
0.6915 Remote Similarity NPD5210 Approved
0.6914 Remote Similarity NPD6081 Approved
0.6914 Remote Similarity NPD5777 Approved
0.69 Remote Similarity NPD5697 Approved
0.6889 Remote Similarity NPD3573 Approved
0.6875 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6863 Remote Similarity NPD6883 Approved
0.6863 Remote Similarity NPD7102 Approved
0.6863 Remote Similarity NPD7290 Approved
0.6832 Remote Similarity NPD4729 Approved
0.6832 Remote Similarity NPD6011 Approved
0.6832 Remote Similarity NPD4730 Approved
0.6832 Remote Similarity NPD7320 Approved
0.6832 Remote Similarity NPD5168 Approved
0.6824 Remote Similarity NPD5364 Discontinued
0.6813 Remote Similarity NPD6903 Approved
0.68 Remote Similarity NPD4768 Approved
0.68 Remote Similarity NPD4767 Approved
0.6796 Remote Similarity NPD6847 Approved
0.6796 Remote Similarity NPD6650 Approved
0.6796 Remote Similarity NPD6617 Approved
0.6796 Remote Similarity NPD8130 Phase 1
0.6796 Remote Similarity NPD6869 Approved
0.6796 Remote Similarity NPD6649 Approved
0.6778 Remote Similarity NPD4688 Approved
0.6778 Remote Similarity NPD5690 Phase 2
0.6778 Remote Similarity NPD4690 Approved
0.6778 Remote Similarity NPD4138 Approved
0.6778 Remote Similarity NPD5205 Approved
0.6778 Remote Similarity NPD4693 Phase 3
0.6778 Remote Similarity NPD4689 Approved
0.6774 Remote Similarity NPD6411 Approved
0.6771 Remote Similarity NPD6084 Phase 2
0.6771 Remote Similarity NPD6083 Phase 2
0.6765 Remote Similarity NPD6373 Approved
0.6765 Remote Similarity NPD6014 Approved
0.6765 Remote Similarity NPD6012 Approved
0.6765 Remote Similarity NPD6013 Approved
0.6765 Remote Similarity NPD6372 Approved
0.6733 Remote Similarity NPD5701 Approved
0.6731 Remote Similarity NPD6882 Approved
0.6731 Remote Similarity NPD8297 Approved
0.6699 Remote Similarity NPD5248 Approved
0.6699 Remote Similarity NPD5249 Phase 3
0.6699 Remote Similarity NPD5247 Approved
0.6699 Remote Similarity NPD5250 Approved
0.6699 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6699 Remote Similarity NPD5251 Approved
0.6699 Remote Similarity NPD4634 Approved
0.6699 Remote Similarity NPD5135 Approved
0.6699 Remote Similarity NPD5169 Approved
0.6667 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5128 Approved
0.6635 Remote Similarity NPD5215 Approved
0.6635 Remote Similarity NPD5127 Approved
0.6635 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6635 Remote Similarity NPD5216 Approved
0.6635 Remote Similarity NPD5217 Approved
0.663 Remote Similarity NPD6672 Approved
0.663 Remote Similarity NPD5737 Approved
0.6628 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4694 Approved
0.6593 Remote Similarity NPD5280 Approved
0.6591 Remote Similarity NPD4139 Approved
0.6591 Remote Similarity NPD4692 Approved
0.6585 Remote Similarity NPD4787 Phase 1
0.6559 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6559 Remote Similarity NPD6101 Approved
0.6552 Remote Similarity NPD4195 Approved
0.6548 Remote Similarity NPD6926 Approved
0.6548 Remote Similarity NPD6924 Approved
0.6542 Remote Similarity NPD6868 Approved
0.6531 Remote Similarity NPD5290 Discontinued
0.6509 Remote Similarity NPD4632 Approved
0.6506 Remote Similarity NPD7151 Approved
0.6506 Remote Similarity NPD7150 Approved
0.6506 Remote Similarity NPD7152 Approved
0.65 Remote Similarity NPD7632 Discontinued
0.6495 Remote Similarity NPD7614 Phase 1
0.6484 Remote Similarity NPD1694 Approved
0.6481 Remote Similarity NPD7115 Discovery
0.6471 Remote Similarity NPD8264 Approved
0.6471 Remote Similarity NPD3702 Approved
0.6463 Remote Similarity NPD4137 Phase 3
0.6449 Remote Similarity NPD5167 Approved
0.6442 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6422 Remote Similarity NPD6335 Approved
0.6421 Remote Similarity NPD5284 Approved
0.6421 Remote Similarity NPD5281 Approved
0.6413 Remote Similarity NPD6098 Approved
0.6408 Remote Similarity NPD6412 Phase 2
0.6395 Remote Similarity NPD6933 Approved
0.6392 Remote Similarity NPD5695 Phase 3
0.6392 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6386 Remote Similarity NPD7144 Approved
0.6386 Remote Similarity NPD4691 Approved
0.6386 Remote Similarity NPD4747 Approved
0.6386 Remote Similarity NPD7143 Approved
0.6364 Remote Similarity NPD7101 Approved
0.6364 Remote Similarity NPD5696 Approved
0.6364 Remote Similarity NPD7100 Approved
0.6353 Remote Similarity NPD4785 Approved
0.6353 Remote Similarity NPD4784 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3581992
ZINC  

Physicochemical Properties

Molecular Weight:  304.24
ALogP:  1.4515
MLogP:  3.44
XLogP:  4.665
# Rotatable Bonds:  6
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  22

Download Data

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