Natural Product: NPC470576

Natural Product ID:  NPC470576
Common Name:   Udalactarane A
IUPAC Name:  
Synonyms:   Udalactarane A
Molecular Formula:   C21H30O4
Standard InCHIKey:  CERWTWXWRVGAAK-PBGUIJGPSA-N
Standard InCHI:  InChI=1S/C21H30O4/c1-5-13(2)6-7-24-18-21-12-20(21,17(23)25-18)9-14-8-19(3,4)10-15(14)16(21)11-22/h11,13-14,18H,5-10,12H2,1-4H3/t13?,14-,18?,20+,21+/m0/s1
Canonical SMILES:  CCC(CCOC1OC(=O)[C@]23[C@]1(C2)C(=C1CC(C[C@H]1C3)(C)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
NPO33354 phlebia uda Species Meruliaceae Eukaryota PMID[22746380]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT15 Cell Line Jurkat Homo sapiens IC50 = 101000 nM DrugMatrix in vitro pharmacology data

  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 NPC470576 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
0.8431 Intermediate Similarity NPC470577
0.8242 Intermediate Similarity NPC244174
0.7957 Intermediate Similarity NPC265580
0.7812 Intermediate Similarity NPC474631
0.7812 Intermediate Similarity NPC65513
0.7634 Intermediate Similarity NPC71626
0.7576 Intermediate Similarity NPC473369
0.7475 Intermediate Similarity NPC41649
0.7449 Intermediate Similarity NPC179517
0.7449 Intermediate Similarity NPC165904
0.7429 Intermediate Similarity NPC127790
0.7426 Intermediate Similarity NPC204054
0.7426 Intermediate Similarity NPC257726
0.7391 Intermediate Similarity NPC474956
0.7379 Intermediate Similarity NPC473384
0.7374 Intermediate Similarity NPC472225
0.7374 Intermediate Similarity NPC471571
0.7374 Intermediate Similarity NPC472226
0.7327 Intermediate Similarity NPC112654
0.7282 Intermediate Similarity NPC470906
0.7263 Intermediate Similarity NPC100391
0.7245 Intermediate Similarity NPC473039
0.7222 Intermediate Similarity NPC112457
0.7216 Intermediate Similarity NPC475773
0.72 Intermediate Similarity NPC267266
0.72 Intermediate Similarity NPC475657
0.72 Intermediate Similarity NPC277721
0.72 Intermediate Similarity NPC166346
0.7188 Intermediate Similarity NPC300985
0.7157 Intermediate Similarity NPC311166
0.7157 Intermediate Similarity NPC470801
0.7143 Intermediate Similarity NPC134077
0.7143 Intermediate Similarity NPC190718
0.7143 Intermediate Similarity NPC243981
0.713 Intermediate Similarity NPC469844
0.7129 Intermediate Similarity NPC56525
0.7129 Intermediate Similarity NPC294266
0.7128 Intermediate Similarity NPC149237
0.7115 Intermediate Similarity NPC473219
0.7115 Intermediate Similarity NPC470761
0.7103 Intermediate Similarity NPC470309
0.7087 Intermediate Similarity NPC226986
0.7087 Intermediate Similarity NPC187159
0.7087 Intermediate Similarity NPC23680
0.7083 Intermediate Similarity NPC469407
0.7075 Intermediate Similarity NPC132395
0.7075 Intermediate Similarity NPC471365
0.7075 Intermediate Similarity NPC471364
0.7075 Intermediate Similarity NPC176883
0.7071 Intermediate Similarity NPC174765
0.7048 Intermediate Similarity NPC63249
0.7041 Intermediate Similarity NPC167877
0.703 Intermediate Similarity NPC470656
0.7027 Intermediate Similarity NPC222834
0.7021 Intermediate Similarity NPC473685
0.7019 Intermediate Similarity NPC252295
0.701 Intermediate Similarity NPC470223
0.7009 Intermediate Similarity NPC119493
0.699 Remote Similarity NPC307164
0.6979 Remote Similarity NPC469561
0.6979 Remote Similarity NPC271784
0.6979 Remote Similarity NPC22611
0.6972 Remote Similarity NPC470269
0.697 Remote Similarity NPC226863
0.6964 Remote Similarity NPC157441
0.6961 Remote Similarity NPC472223
0.6961 Remote Similarity NPC474554
0.6961 Remote Similarity NPC88507
0.6961 Remote Similarity NPC472224
0.6957 Remote Similarity NPC161065
0.6957 Remote Similarity NPC41017
0.6957 Remote Similarity NPC474179
0.6957 Remote Similarity NPC475834
0.6952 Remote Similarity NPC241221
0.6944 Remote Similarity NPC470267
0.6944 Remote Similarity NPC103172
0.6944 Remote Similarity NPC190867
0.6944 Remote Similarity NPC164600
0.6939 Remote Similarity NPC474062
0.6931 Remote Similarity NPC150383
0.6931 Remote Similarity NPC141831
0.6931 Remote Similarity NPC476187
0.6923 Remote Similarity NPC292133
0.6923 Remote Similarity NPC216904
0.6923 Remote Similarity NPC476768
0.6915 Remote Similarity NPC170561
0.6909 Remote Similarity NPC246205
0.6909 Remote Similarity NPC23497
0.6907 Remote Similarity NPC320801
0.6907 Remote Similarity NPC82492
0.6907 Remote Similarity NPC25802
0.6907 Remote Similarity NPC469569
0.6907 Remote Similarity NPC101138
0.6907 Remote Similarity NPC51135
0.6903 Remote Similarity NPC471398
0.69 Remote Similarity NPC471222
0.6897 Remote Similarity NPC241192
0.6882 Remote Similarity NPC316500
0.6881 Remote Similarity NPC293512
0.6875 Remote Similarity NPC12046
0.6875 Remote Similarity NPC327969
0.6875 Remote Similarity NPC321289
0.6875 Remote Similarity NPC194951
0.687 Remote Similarity NPC471249
0.687 Remote Similarity NPC475913
0.6869 Remote Similarity NPC288952
0.6863 Remote Similarity NPC109414
0.6863 Remote Similarity NPC477615
0.6857 Remote Similarity NPC153792
0.6857 Remote Similarity NPC176845
0.6857 Remote Similarity NPC112753
0.6857 Remote Similarity NPC275439
0.6857 Remote Similarity NPC271387
0.6852 Remote Similarity NPC121566
0.6852 Remote Similarity NPC228669
0.6852 Remote Similarity NPC223741
0.6852 Remote Similarity NPC164835
0.6852 Remote Similarity NPC100955
0.6852 Remote Similarity NPC244247
0.6847 Remote Similarity NPC235014
0.6847 Remote Similarity NPC101450
0.6847 Remote Similarity NPC473036
0.6847 Remote Similarity NPC272898
0.6842 Remote Similarity NPC302471
0.6842 Remote Similarity NPC195424
0.6842 Remote Similarity NPC170038
0.6838 Remote Similarity NPC204731
0.6837 Remote Similarity NPC2709
0.6832 Remote Similarity NPC232426
0.6832 Remote Similarity NPC281942
0.6832 Remote Similarity NPC469595
0.6832 Remote Similarity NPC212679
0.6832 Remote Similarity NPC220454
0.6827 Remote Similarity NPC111684
0.6827 Remote Similarity NPC125622
0.6827 Remote Similarity NPC17578
0.6827 Remote Similarity NPC58052
0.6827 Remote Similarity NPC240673
0.6822 Remote Similarity NPC271266
0.6822 Remote Similarity NPC308351
0.6822 Remote Similarity NPC475320
0.6818 Remote Similarity NPC295389
0.6818 Remote Similarity NPC94942
0.6818 Remote Similarity NPC469845
0.6818 Remote Similarity NPC325054
0.6818 Remote Similarity NPC61411
0.6814 Remote Similarity NPC471627
0.6814 Remote Similarity NPC471173
0.681 Remote Similarity NPC158963
0.6809 Remote Similarity NPC35574
0.6804 Remote Similarity NPC193198
0.6804 Remote Similarity NPC472440
0.68 Remote Similarity NPC80335
0.68 Remote Similarity NPC28227
0.68 Remote Similarity NPC477128
0.6796 Remote Similarity NPC128488
0.6796 Remote Similarity NPC477129
0.6796 Remote Similarity NPC304968
0.6796 Remote Similarity NPC96541
0.6796 Remote Similarity NPC477130
0.6792 Remote Similarity NPC469402
0.6792 Remote Similarity NPC476303
0.6789 Remote Similarity NPC95243
0.6789 Remote Similarity NPC162033
0.6789 Remote Similarity NPC96377
0.6789 Remote Similarity NPC63023
0.6789 Remote Similarity NPC181357
0.6789 Remote Similarity NPC153095
0.6789 Remote Similarity NPC469401
0.6786 Remote Similarity NPC231589
0.6786 Remote Similarity NPC118860
0.6786 Remote Similarity NPC214797
0.6783 Remote Similarity NPC477252
0.678 Remote Similarity NPC470419
0.6771 Remote Similarity NPC475665
0.6765 Remote Similarity NPC470113
0.6762 Remote Similarity NPC121339
0.6762 Remote Similarity NPC472188
0.6759 Remote Similarity NPC140723
0.6759 Remote Similarity NPC159442
0.6759 Remote Similarity NPC254202
0.6757 Remote Similarity NPC241927
0.6757 Remote Similarity NPC118225
0.6757 Remote Similarity NPC477069
0.6757 Remote Similarity NPC258543
0.6757 Remote Similarity NPC477070
0.6754 Remote Similarity NPC74727
0.675 Remote Similarity NPC47113
0.675 Remote Similarity NPC174367
0.6739 Remote Similarity NPC469643
0.6739 Remote Similarity NPC469641
0.6737 Remote Similarity NPC118987
0.6735 Remote Similarity NPC470011
0.6735 Remote Similarity NPC109512
0.6733 Remote Similarity NPC288699
0.6733 Remote Similarity NPC168131
0.6733 Remote Similarity NPC284561
0.6733 Remote Similarity NPC469546
0.6731 Remote Similarity NPC33473
0.6731 Remote Similarity NPC241156

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470576 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
0.7264 Intermediate Similarity NPD6008 Approved
0.7059 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.68 Remote Similarity NPD5737 Approved
0.68 Remote Similarity NPD6672 Approved
0.6796 Remote Similarity NPD6001 Approved
0.6699 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD5207 Approved
0.6634 Remote Similarity NPD6903 Approved
0.66 Remote Similarity NPD7146 Approved
0.66 Remote Similarity NPD6409 Approved
0.66 Remote Similarity NPD7334 Approved
0.66 Remote Similarity NPD7521 Approved
0.66 Remote Similarity NPD5330 Approved
0.66 Remote Similarity NPD6684 Approved
0.6577 Remote Similarity NPD6412 Phase 2
0.6542 Remote Similarity NPD5696 Approved
0.6531 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6475 Remote Similarity NPD7507 Approved
0.6471 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6423 Remote Similarity NPD8293 Discontinued
0.6415 Remote Similarity NPD5695 Phase 3
0.6408 Remote Similarity NPD6904 Approved
0.6408 Remote Similarity NPD6080 Approved
0.6408 Remote Similarity NPD6673 Approved
0.6372 Remote Similarity NPD6686 Approved
0.6371 Remote Similarity NPD7736 Approved
0.6364 Remote Similarity NPD6370 Approved
0.6346 Remote Similarity NPD5692 Phase 3
0.6337 Remote Similarity NPD1694 Approved
0.6321 Remote Similarity NPD7900 Approved
0.6321 Remote Similarity NPD7901 Clinical (unspecified phase)
0.632 Remote Similarity NPD7319 Approved
0.6316 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6311 Remote Similarity NPD7122 Discontinued
0.6311 Remote Similarity NPD5208 Approved
0.6296 Remote Similarity NPD5959 Approved
0.6296 Remote Similarity NPD6084 Phase 2
0.6296 Remote Similarity NPD6083 Phase 2
0.6293 Remote Similarity NPD6882 Approved
0.6286 Remote Similarity NPD5281 Approved
0.6286 Remote Similarity NPD5693 Phase 1
0.6286 Remote Similarity NPD5694 Approved
0.6286 Remote Similarity NPD5284 Approved
0.6286 Remote Similarity NPD6050 Approved
0.6283 Remote Similarity NPD5954 Clinical (unspecified phase)
0.626 Remote Similarity NPD7492 Approved
0.625 Remote Similarity NPD1695 Approved
0.6228 Remote Similarity NPD7320 Approved
0.6218 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6218 Remote Similarity NPD6009 Approved
0.621 Remote Similarity NPD6616 Approved
0.6204 Remote Similarity NPD4697 Phase 3
0.6198 Remote Similarity NPD6059 Approved
0.6198 Remote Similarity NPD6054 Approved
0.6195 Remote Similarity NPD6675 Approved
0.6195 Remote Similarity NPD7128 Approved
0.6195 Remote Similarity NPD5739 Approved
0.6195 Remote Similarity NPD6402 Approved
0.6174 Remote Similarity NPD6373 Approved
0.6174 Remote Similarity NPD6372 Approved
0.6168 Remote Similarity NPD5282 Discontinued
0.6161 Remote Similarity NPD6052 Approved
0.616 Remote Similarity NPD7078 Approved
0.6154 Remote Similarity NPD6053 Discontinued
0.6148 Remote Similarity NPD6016 Approved
0.6148 Remote Similarity NPD6015 Approved
0.6147 Remote Similarity NPD7902 Approved
0.614 Remote Similarity NPD5697 Approved
0.614 Remote Similarity NPD5701 Approved
0.6121 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6117 Remote Similarity NPD6098 Approved
0.6111 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6111 Remote Similarity NPD5654 Approved
0.6111 Remote Similarity NPD8336 Approved
0.6111 Remote Similarity NPD8337 Approved
0.6098 Remote Similarity NPD5988 Approved
0.6087 Remote Similarity NPD6881 Approved
0.6087 Remote Similarity NPD6011 Approved
0.6087 Remote Similarity NPD6899 Approved
0.6068 Remote Similarity NPD6650 Approved
0.6068 Remote Similarity NPD6649 Approved
0.6058 Remote Similarity NPD3573 Approved
0.6048 Remote Similarity NPD6067 Discontinued
0.6048 Remote Similarity NPD8328 Phase 3
0.6034 Remote Similarity NPD6012 Approved
0.6034 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6034 Remote Similarity NPD6014 Approved
0.6034 Remote Similarity NPD6013 Approved
0.6019 Remote Similarity NPD7748 Approved
0.5983 Remote Similarity NPD7102 Approved
0.5983 Remote Similarity NPD7290 Approved
0.5983 Remote Similarity NPD6883 Approved
0.5981 Remote Similarity NPD8035 Phase 2
0.5981 Remote Similarity NPD8034 Phase 2
0.5966 Remote Similarity NPD4632 Approved
0.5963 Remote Similarity NPD5210 Approved
0.5963 Remote Similarity NPD4629 Approved
0.5962 Remote Similarity NPD3618 Phase 1
0.596 Remote Similarity NPD3617 Approved
0.5946 Remote Similarity NPD7638 Approved
0.5943 Remote Similarity NPD4753 Phase 2
0.5943 Remote Similarity NPD5328 Approved
0.5941 Remote Similarity NPD1780 Approved
0.5941 Remote Similarity NPD1779 Approved
0.5932 Remote Similarity NPD8130 Phase 1
0.5932 Remote Similarity NPD6847 Approved
0.5932 Remote Similarity NPD6869 Approved
0.5932 Remote Similarity NPD6617 Approved
0.5932 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5922 Remote Similarity NPD3666 Approved
0.5922 Remote Similarity NPD3665 Phase 1
0.5922 Remote Similarity NPD4786 Approved
0.5922 Remote Similarity NPD3668 Phase 3
0.5922 Remote Similarity NPD3133 Approved
0.592 Remote Similarity NPD7604 Phase 2
0.5909 Remote Similarity NPD7732 Phase 3
0.5893 Remote Similarity NPD7640 Approved
0.5893 Remote Similarity NPD7639 Approved
0.5887 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5882 Remote Similarity NPD4221 Approved
0.5882 Remote Similarity NPD8297 Approved
0.5882 Remote Similarity NPD3667 Approved
0.5882 Remote Similarity NPD4223 Phase 3
0.5865 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5862 Remote Similarity NPD6614 Approved
0.5859 Remote Similarity NPD6033 Approved
0.5856 Remote Similarity NPD4755 Approved
0.5847 Remote Similarity NPD6371 Approved
0.5833 Remote Similarity NPD8133 Approved
0.5833 Remote Similarity NPD6079 Approved
0.5833 Remote Similarity NPD6411 Approved
0.5833 Remote Similarity NPD7515 Phase 2
0.582 Remote Similarity NPD7115 Discovery
0.5816 Remote Similarity NPD8039 Approved
0.581 Remote Similarity NPD3574 Clinical (unspecified phase)
0.581 Remote Similarity NPD5279 Phase 3
0.5806 Remote Similarity NPD6319 Approved
0.5802 Remote Similarity NPD6845 Suspended
0.5794 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5789 Remote Similarity NPD7632 Discontinued
0.578 Remote Similarity NPD4202 Approved
0.5772 Remote Similarity NPD7328 Approved
0.5772 Remote Similarity NPD7327 Approved
0.5769 Remote Similarity NPD4197 Approved
0.5766 Remote Similarity NPD5221 Approved
0.5766 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5766 Remote Similarity NPD5222 Approved
0.576 Remote Similarity NPD5983 Phase 2
0.576 Remote Similarity NPD8033 Approved
0.5752 Remote Similarity NPD4700 Approved
0.5752 Remote Similarity NPD5286 Approved
0.5752 Remote Similarity NPD4696 Approved
0.5752 Remote Similarity NPD5285 Approved
0.5741 Remote Similarity NPD46 Approved
0.5741 Remote Similarity NPD6698 Approved
0.5738 Remote Similarity NPD6274 Approved
0.5729 Remote Similarity NPD4747 Approved
0.5726 Remote Similarity NPD7516 Approved
0.5714 Remote Similarity NPD5329 Approved
0.5714 Remote Similarity NPD5173 Approved
0.5702 Remote Similarity NPD5223 Approved
0.5691 Remote Similarity NPD6317 Approved
0.5686 Remote Similarity NPD4695 Discontinued
0.568 Remote Similarity NPD8294 Approved
0.568 Remote Similarity NPD8377 Approved
0.5673 Remote Similarity NPD5362 Discontinued
0.5664 Remote Similarity NPD4225 Approved
0.566 Remote Similarity NPD4689 Approved
0.566 Remote Similarity NPD4694 Approved
0.566 Remote Similarity NPD4138 Approved
0.566 Remote Similarity NPD4693 Phase 3
0.566 Remote Similarity NPD4690 Approved
0.566 Remote Similarity NPD4688 Approved
0.566 Remote Similarity NPD5280 Approved
0.566 Remote Similarity NPD5690 Phase 2
0.566 Remote Similarity NPD5205 Approved
0.5657 Remote Similarity NPD3702 Approved
0.5652 Remote Similarity NPD4633 Approved
0.5652 Remote Similarity NPD5224 Approved
0.5652 Remote Similarity NPD5225 Approved
0.5652 Remote Similarity NPD5211 Phase 2
0.5652 Remote Similarity NPD5226 Approved
0.5649 Remote Similarity NPD5956 Approved
0.5648 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5648 Remote Similarity NPD6101 Approved
0.5648 Remote Similarity NPD6051 Approved
0.5645 Remote Similarity NPD6335 Approved
0.5645 Remote Similarity NPD6314 Approved
0.5645 Remote Similarity NPD6313 Approved
0.5645 Remote Similarity NPD7641 Discontinued
0.5636 Remote Similarity NPD5133 Approved
0.5636 Remote Similarity NPD5779 Approved
0.5636 Remote Similarity NPD5778 Approved
0.5635 Remote Similarity NPD8296 Approved
0.5635 Remote Similarity NPD8379 Approved
0.5635 Remote Similarity NPD7503 Approved
0.5635 Remote Similarity NPD8515 Approved
0.5635 Remote Similarity NPD8335 Approved
0.5635 Remote Similarity NPD8380 Approved
0.5635 Remote Similarity NPD8517 Approved

Structure

External Identifiers

PubChem CID   70693127
ChEMBL   CHEMBL2071320
ZINC  

Physicochemical Properties

Molecular Weight:  346.21
ALogP:  0.8148
MLogP:  3.33
XLogP:  4.116
# Rotatable Bonds:  10
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  25

Download Data

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