Natural Product: NPC478181

Natural Product ID:  NPC478181
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H40O9
Standard InCHIKey:  AYZCWNDNMSHPGK-LTPQBRMQSA-N
Standard InCHI:  InChI=1S/C27H40O9/c1-12(2)18-19(29)17-9-25(10-28)16-7-6-13(3)15(16)8-26(17,27(18,25)24(32)33)11-35-23-21(31)20(30)22(34-5)14(4)36-23/h10,12-18,20-23,30-31H,6-9,11H2,1-5H3,(H,32,33)/t13-,14-,15-,16-,17-,18?,20+,21+,22-,23-,25+,26+,27+/m1/s1
Canonical SMILES:  CO[C@@H]1[C@@H](C)O[C@H]([C@H]([C@@H]1O)O)OC[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3([C@@]2(C(=O)O)C(C(=O)[C@H]1C3)C(C)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
NPO33661 Xylotumulus gibbisporus Species Xylariaceae Eukaryota PMID[24597849]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 327200 nM 24597849

  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 NPC478181 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
0.8119 Intermediate Similarity NPC472273
0.81 Intermediate Similarity NPC215570
0.787 Intermediate Similarity NPC469825
0.7857 Intermediate Similarity NPC470009
0.7857 Intermediate Similarity NPC33398
0.7838 Intermediate Similarity NPC79193
0.7788 Intermediate Similarity NPC20028
0.7767 Intermediate Similarity NPC74466
0.7757 Intermediate Similarity NPC215408
0.7736 Intermediate Similarity NPC34562
0.7685 Intermediate Similarity NPC203974
0.767 Intermediate Similarity NPC475785
0.767 Intermediate Similarity NPC193785
0.767 Intermediate Similarity NPC475765
0.7664 Intermediate Similarity NPC470167
0.7653 Intermediate Similarity NPC470657
0.7642 Intermediate Similarity NPC470172
0.7642 Intermediate Similarity NPC94919
0.7642 Intermediate Similarity NPC80191
0.7642 Intermediate Similarity NPC310031
0.7619 Intermediate Similarity NPC41843
0.7615 Intermediate Similarity NPC230888
0.7615 Intermediate Similarity NPC475319
0.7615 Intermediate Similarity NPC92890
0.7615 Intermediate Similarity NPC202898
0.7596 Intermediate Similarity NPC470632
0.7593 Intermediate Similarity NPC166079
0.7576 Intermediate Similarity NPC31349
0.757 Intermediate Similarity NPC473406
0.7547 Intermediate Similarity NPC477172
0.7545 Intermediate Similarity NPC92297
0.7545 Intermediate Similarity NPC236753
0.7545 Intermediate Similarity NPC233433
0.7545 Intermediate Similarity NPC94086
0.7545 Intermediate Similarity NPC473817
0.7545 Intermediate Similarity NPC228190
0.7545 Intermediate Similarity NPC273002
0.7545 Intermediate Similarity NPC220836
0.75 Intermediate Similarity NPC477489
0.75 Intermediate Similarity NPC469827
0.75 Intermediate Similarity NPC100078
0.7477 Intermediate Similarity NPC114961
0.7477 Intermediate Similarity NPC471254
0.7477 Intermediate Similarity NPC244969
0.7477 Intermediate Similarity NPC27551
0.7477 Intermediate Similarity NPC213528
0.7455 Intermediate Similarity NPC469826
0.7455 Intermediate Similarity NPC472079
0.7455 Intermediate Similarity NPC224414
0.7451 Intermediate Similarity NPC475878
0.7431 Intermediate Similarity NPC306776
0.7429 Intermediate Similarity NPC471241
0.7423 Intermediate Similarity NPC242771
0.7423 Intermediate Similarity NPC311642
0.7423 Intermediate Similarity NPC100366
0.7423 Intermediate Similarity NPC164289
0.7411 Intermediate Similarity NPC473062
0.7411 Intermediate Similarity NPC469824
0.7407 Intermediate Similarity NPC107385
0.7407 Intermediate Similarity NPC471253
0.74 Intermediate Similarity NPC239938
0.74 Intermediate Similarity NPC472396
0.7387 Intermediate Similarity NPC227879
0.7387 Intermediate Similarity NPC208333
0.7387 Intermediate Similarity NPC118225
0.7383 Intermediate Similarity NPC178853
0.7379 Intermediate Similarity NPC472237
0.7379 Intermediate Similarity NPC472238
0.7379 Intermediate Similarity NPC161035
0.7364 Intermediate Similarity NPC287269
0.7364 Intermediate Similarity NPC469787
0.7364 Intermediate Similarity NPC469788
0.7364 Intermediate Similarity NPC290247
0.7347 Intermediate Similarity NPC474266
0.7339 Intermediate Similarity NPC88469
0.7339 Intermediate Similarity NPC223741
0.7333 Intermediate Similarity NPC203434
0.7333 Intermediate Similarity NPC237071
0.7333 Intermediate Similarity NPC238796
0.7321 Intermediate Similarity NPC106760
0.7315 Intermediate Similarity NPC292803
0.7308 Intermediate Similarity NPC151214
0.7308 Intermediate Similarity NPC470423
0.7308 Intermediate Similarity NPC470424
0.7308 Intermediate Similarity NPC191915
0.7304 Intermediate Similarity NPC475490
0.73 Intermediate Similarity NPC92139
0.7297 Intermediate Similarity NPC88744
0.7281 Intermediate Similarity NPC73455
0.7281 Intermediate Similarity NPC200944
0.7273 Intermediate Similarity NPC101138
0.7273 Intermediate Similarity NPC25802
0.7273 Intermediate Similarity NPC162033
0.7273 Intermediate Similarity NPC51135
0.7273 Intermediate Similarity NPC82492
0.7264 Intermediate Similarity NPC278028
0.7264 Intermediate Similarity NPC328180
0.7263 Intermediate Similarity NPC70996
0.7263 Intermediate Similarity NPC169389
0.7257 Intermediate Similarity NPC272242
0.7255 Intermediate Similarity NPC200580
0.7248 Intermediate Similarity NPC27687
0.7245 Intermediate Similarity NPC148740
0.7245 Intermediate Similarity NPC475849
0.7245 Intermediate Similarity NPC102156
0.7241 Intermediate Similarity NPC179429
0.7238 Intermediate Similarity NPC62407
0.7238 Intermediate Similarity NPC287354
0.7238 Intermediate Similarity NPC57964
0.7238 Intermediate Similarity NPC94582
0.7232 Intermediate Similarity NPC87393
0.7232 Intermediate Similarity NPC477069
0.7232 Intermediate Similarity NPC217041
0.7232 Intermediate Similarity NPC51947
0.7232 Intermediate Similarity NPC8431
0.7232 Intermediate Similarity NPC91583
0.7232 Intermediate Similarity NPC473844
0.7232 Intermediate Similarity NPC477070
0.7232 Intermediate Similarity NPC240125
0.7212 Intermediate Similarity NPC475307
0.7193 Intermediate Similarity NPC157571
0.7193 Intermediate Similarity NPC477492
0.7182 Intermediate Similarity NPC177518
0.7182 Intermediate Similarity NPC132304
0.7182 Intermediate Similarity NPC154962
0.7182 Intermediate Similarity NPC121566
0.7182 Intermediate Similarity NPC18044
0.7182 Intermediate Similarity NPC123070
0.7182 Intermediate Similarity NPC88890
0.7182 Intermediate Similarity NPC18433
0.7182 Intermediate Similarity NPC114365
0.7182 Intermediate Similarity NPC100955
0.7182 Intermediate Similarity NPC169089
0.717 Intermediate Similarity NPC296936
0.717 Intermediate Similarity NPC116683
0.717 Intermediate Similarity NPC252056
0.717 Intermediate Similarity NPC476728
0.7168 Intermediate Similarity NPC471431
0.7168 Intermediate Similarity NPC66513
0.7168 Intermediate Similarity NPC129340
0.7168 Intermediate Similarity NPC182185
0.7168 Intermediate Similarity NPC470622
0.7157 Intermediate Similarity NPC221993
0.7156 Intermediate Similarity NPC80640
0.7156 Intermediate Similarity NPC106668
0.7155 Intermediate Similarity NPC88945
0.7155 Intermediate Similarity NPC137414
0.7143 Intermediate Similarity NPC295389
0.7143 Intermediate Similarity NPC195708
0.7143 Intermediate Similarity NPC216941
0.713 Intermediate Similarity NPC73986
0.713 Intermediate Similarity NPC477944
0.713 Intermediate Similarity NPC80417
0.713 Intermediate Similarity NPC102619
0.713 Intermediate Similarity NPC97002
0.7129 Intermediate Similarity NPC472745
0.7129 Intermediate Similarity NPC471410
0.7129 Intermediate Similarity NPC471411
0.7117 Intermediate Similarity NPC119628
0.7117 Intermediate Similarity NPC95243
0.7117 Intermediate Similarity NPC63023
0.7117 Intermediate Similarity NPC158051
0.7117 Intermediate Similarity NPC41674
0.7117 Intermediate Similarity NPC469441
0.7117 Intermediate Similarity NPC228311
0.7117 Intermediate Similarity NPC158367
0.7117 Intermediate Similarity NPC210178
0.7115 Intermediate Similarity NPC474065
0.7105 Intermediate Similarity NPC275668
0.7105 Intermediate Similarity NPC274833
0.7105 Intermediate Similarity NPC11035
0.7105 Intermediate Similarity NPC91838
0.7105 Intermediate Similarity NPC204392
0.7105 Intermediate Similarity NPC285410
0.7105 Intermediate Similarity NPC263827
0.7105 Intermediate Similarity NPC240734
0.7105 Intermediate Similarity NPC1876
0.7105 Intermediate Similarity NPC477073
0.7105 Intermediate Similarity NPC250481
0.7103 Intermediate Similarity NPC261372
0.7103 Intermediate Similarity NPC210157
0.7103 Intermediate Similarity NPC266417
0.7103 Intermediate Similarity NPC470591
0.7103 Intermediate Similarity NPC58267
0.7103 Intermediate Similarity NPC263674
0.71 Intermediate Similarity NPC474156
0.71 Intermediate Similarity NPC18953
0.71 Intermediate Similarity NPC473791
0.7094 Intermediate Similarity NPC473304
0.7094 Intermediate Similarity NPC477252
0.7087 Intermediate Similarity NPC82955
0.708 Intermediate Similarity NPC246205
0.708 Intermediate Similarity NPC265655
0.708 Intermediate Similarity NPC131903
0.7075 Intermediate Similarity NPC21897
0.7075 Intermediate Similarity NPC305808
0.7069 Intermediate Similarity NPC473882
0.7069 Intermediate Similarity NPC116024
0.7069 Intermediate Similarity NPC74727
0.7064 Intermediate Similarity NPC475574

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478181 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
0.7664 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.6911 Remote Similarity NPD7507 Approved
0.6903 Remote Similarity NPD6412 Phase 2
0.6887 Remote Similarity NPD8171 Discontinued
0.6838 Remote Similarity NPD8133 Approved
0.6832 Remote Similarity NPD3669 Approved
0.6832 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6746 Remote Similarity NPD7319 Approved
0.6723 Remote Similarity NPD6940 Discontinued
0.6696 Remote Similarity NPD6686 Approved
0.6667 Remote Similarity NPD6118 Approved
0.6667 Remote Similarity NPD6114 Approved
0.6667 Remote Similarity NPD6115 Approved
0.6667 Remote Similarity NPD6697 Approved
0.6634 Remote Similarity NPD1779 Approved
0.6634 Remote Similarity NPD1780 Approved
0.6566 Remote Similarity NPD6116 Phase 1
0.6562 Remote Similarity NPD6081 Approved
0.6531 Remote Similarity NPD3702 Approved
0.6529 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6465 Remote Similarity NPD6117 Approved
0.646 Remote Similarity NPD1700 Approved
0.6429 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6404 Remote Similarity NPD8086 Approved
0.6404 Remote Similarity NPD8082 Approved
0.6404 Remote Similarity NPD8138 Approved
0.6404 Remote Similarity NPD8083 Approved
0.6404 Remote Similarity NPD8085 Approved
0.6404 Remote Similarity NPD8139 Approved
0.6404 Remote Similarity NPD8084 Approved
0.6379 Remote Similarity NPD8393 Approved
0.6373 Remote Similarity NPD6928 Phase 2
0.6349 Remote Similarity NPD8328 Phase 3
0.6349 Remote Similarity NPD7122 Discontinued
0.6348 Remote Similarity NPD8275 Approved
0.6348 Remote Similarity NPD8276 Approved
0.6337 Remote Similarity NPD4802 Phase 2
0.6337 Remote Similarity NPD4238 Approved
0.6328 Remote Similarity NPD8293 Discontinued
0.6328 Remote Similarity NPD7078 Approved
0.6293 Remote Similarity NPD8081 Approved
0.6279 Remote Similarity NPD7736 Approved
0.6277 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6273 Remote Similarity NPD6399 Phase 3
0.6271 Remote Similarity NPD5345 Clinical (unspecified phase)
0.627 Remote Similarity NPD6370 Approved
0.6224 Remote Similarity NPD5777 Approved
0.6224 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6224 Remote Similarity NPD4809 Clinical (unspecified phase)
0.621 Remote Similarity NPD7328 Approved
0.621 Remote Similarity NPD7327 Approved
0.62 Remote Similarity NPD3703 Phase 2
0.6182 Remote Similarity NPD8034 Phase 2
0.6182 Remote Similarity NPD8035 Phase 2
0.6172 Remote Similarity NPD7492 Approved
0.616 Remote Similarity NPD7516 Approved
0.6124 Remote Similarity NPD6616 Approved
0.6122 Remote Similarity NPD4789 Approved
0.6122 Remote Similarity NPD4244 Approved
0.6122 Remote Similarity NPD4245 Approved
0.6111 Remote Similarity NPD8377 Approved
0.6111 Remote Similarity NPD6059 Approved
0.6111 Remote Similarity NPD6054 Approved
0.6111 Remote Similarity NPD8294 Approved
0.6083 Remote Similarity NPD6373 Approved
0.6083 Remote Similarity NPD6372 Approved
0.6066 Remote Similarity NPD6882 Approved
0.6063 Remote Similarity NPD8033 Approved
0.6063 Remote Similarity NPD8378 Approved
0.6063 Remote Similarity NPD8296 Approved
0.6063 Remote Similarity NPD8380 Approved
0.6063 Remote Similarity NPD8335 Approved
0.6063 Remote Similarity NPD8379 Approved
0.6042 Remote Similarity NPD4224 Phase 2
0.602 Remote Similarity NPD3699 Clinical (unspecified phase)
0.602 Remote Similarity NPD3698 Phase 2
0.602 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6 Remote Similarity NPD6009 Approved
0.6 Remote Similarity NPD7909 Approved
0.6 Remote Similarity NPD3181 Approved
0.6 Remote Similarity NPD7320 Approved
0.5984 Remote Similarity NPD6319 Approved
0.5984 Remote Similarity NPD6650 Approved
0.5984 Remote Similarity NPD6649 Approved
0.596 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5941 Remote Similarity NPD1810 Approved
0.5941 Remote Similarity NPD1811 Approved
0.5938 Remote Similarity NPD7503 Approved
0.5938 Remote Similarity NPD6015 Approved
0.5938 Remote Similarity NPD6016 Approved
0.5935 Remote Similarity NPD8297 Approved
0.5917 Remote Similarity NPD8140 Approved
0.5917 Remote Similarity NPD8307 Discontinued
0.5909 Remote Similarity NPD8337 Approved
0.5909 Remote Similarity NPD8336 Approved
0.5891 Remote Similarity NPD5988 Approved
0.5887 Remote Similarity NPD4632 Approved
0.5862 Remote Similarity NPD5696 Approved
0.5846 Remote Similarity NPD6067 Discontinued
0.5833 Remote Similarity NPD6675 Approved
0.5833 Remote Similarity NPD5739 Approved
0.5833 Remote Similarity NPD7128 Approved
0.5833 Remote Similarity NPD6402 Approved
0.582 Remote Similarity NPD8306 Approved
0.582 Remote Similarity NPD8305 Approved
0.5816 Remote Similarity NPD897 Approved
0.5816 Remote Similarity NPD896 Approved
0.5816 Remote Similarity NPD898 Approved
0.5814 Remote Similarity NPD6921 Approved
0.581 Remote Similarity NPD7329 Approved
0.578 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5776 Remote Similarity NPD6084 Phase 2
0.5776 Remote Similarity NPD6083 Phase 2
0.5772 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5772 Remote Similarity NPD8087 Discontinued
0.5758 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5758 Remote Similarity NPD5360 Phase 3
0.5738 Remote Similarity NPD6899 Approved
0.5738 Remote Similarity NPD6881 Approved
0.5703 Remote Similarity NPD7641 Discontinued
0.5702 Remote Similarity NPD6008 Approved
0.57 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5692 Remote Similarity NPD8516 Approved
0.5692 Remote Similarity NPD8517 Approved
0.5692 Remote Similarity NPD8515 Approved
0.5692 Remote Similarity NPD8513 Phase 3
0.5691 Remote Similarity NPD4061 Clinical (unspecified phase)
0.569 Remote Similarity NPD4697 Phase 3
0.568 Remote Similarity NPD6053 Discontinued
0.5672 Remote Similarity NPD6033 Approved
0.5656 Remote Similarity NPD5697 Approved
0.5656 Remote Similarity NPD5701 Approved
0.5645 Remote Similarity NPD7290 Approved
0.5645 Remote Similarity NPD6883 Approved
0.5645 Remote Similarity NPD7102 Approved
0.5644 Remote Similarity NPD2686 Approved
0.5644 Remote Similarity NPD2254 Approved
0.5644 Remote Similarity NPD2687 Approved
0.5625 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5625 Remote Similarity NPD7115 Discovery
0.5625 Remote Similarity NPD6903 Approved
0.562 Remote Similarity NPD6845 Suspended
0.561 Remote Similarity NPD8174 Phase 2
0.5606 Remote Similarity NPD7604 Phase 2
0.5603 Remote Similarity NPD7991 Discontinued
0.5603 Remote Similarity NPD5695 Phase 3
0.56 Remote Similarity NPD8413 Clinical (unspecified phase)
0.56 Remote Similarity NPD8130 Phase 1
0.56 Remote Similarity NPD6617 Approved
0.56 Remote Similarity NPD229 Approved
0.56 Remote Similarity NPD6869 Approved
0.56 Remote Similarity NPD6847 Approved

Structure

External Identifiers

PubChem CID   90670880
ChEMBL   CHEMBL3235989
ZINC  

Physicochemical Properties

Molecular Weight:  508.27
ALogP:  -1.8624
MLogP:  3.44
XLogP:  1.821
# Rotatable Bonds:  15
Polar Surface Area:  139.59
# H-Bond Aceptor:  9
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  36

Download Data

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