Natural Product: NPC473616

Natural Product ID:  NPC473616
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C33H54O11S
Standard InCHIKey:  VEBWDEUHONOFKN-GOVPCOKMSA-N
Standard InCHI:  InChI=1S/C33H54O11S/c1-16-8-11-33(40-15-16)17(2)26-24(43-33)14-23-21-7-6-19-12-20(34)13-25(32(19,5)22(21)9-10-31(23,26)4)42-30-28(36)27(35)29(18(3)41-30)44-45(37,38)39/h16-30,34-36H,6-15H2,1-5H3,(H,37,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+/m0/s1
Canonical SMILES:  O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2([C@@H](C1)O[C@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)OS(=O)(=O)O)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@]1(O2)CC[C@@H](CO1)C)C)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
NPO32671 chamaedorea linearis Species Arecaceae Eukaryota PMID[8254345]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 3.5 ug 9514009

  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 NPC473616 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
0.956 High Similarity NPC473774
0.956 High Similarity NPC24960
0.9457 High Similarity NPC469710
0.9451 High Similarity NPC149400
0.9451 High Similarity NPC88962
0.9451 High Similarity NPC144790
0.9362 High Similarity NPC473638
0.9348 High Similarity NPC473503
0.9348 High Similarity NPC475436
0.9348 High Similarity NPC473851
0.9348 High Similarity NPC179859
0.9348 High Similarity NPC253268
0.9348 High Similarity NPC252253
0.9348 High Similarity NPC45959
0.9348 High Similarity NPC131693
0.9348 High Similarity NPC174024
0.9348 High Similarity NPC291547
0.9348 High Similarity NPC312678
0.9341 High Similarity NPC204881
0.9341 High Similarity NPC473830
0.9341 High Similarity NPC476668
0.9341 High Similarity NPC473637
0.9255 High Similarity NPC477223
0.9255 High Similarity NPC477222
0.9239 High Similarity NPC477451
0.9239 High Similarity NPC477547
0.9239 High Similarity NPC234352
0.9239 High Similarity NPC250393
0.9239 High Similarity NPC177834
0.9239 High Similarity NPC48339
0.9239 High Similarity NPC297348
0.9239 High Similarity NPC141769
0.9239 High Similarity NPC325828
0.9239 High Similarity NPC476669
0.9239 High Similarity NPC167644
0.9239 High Similarity NPC311246
0.9239 High Similarity NPC249204
0.9231 High Similarity NPC65550
0.9231 High Similarity NPC473542
0.9167 High Similarity NPC477225
0.9149 High Similarity NPC476510
0.9149 High Similarity NPC139271
0.9149 High Similarity NPC473287
0.9149 High Similarity NPC121453
0.9149 High Similarity NPC304011
0.9149 High Similarity NPC142264
0.914 High Similarity NPC309866
0.914 High Similarity NPC477224
0.914 High Similarity NPC294686
0.914 High Similarity NPC217205
0.914 High Similarity NPC475325
0.914 High Similarity NPC471464
0.914 High Similarity NPC291203
0.914 High Similarity NPC264101
0.914 High Similarity NPC3538
0.914 High Similarity NPC113500
0.914 High Similarity NPC222731
0.913 High Similarity NPC149966
0.913 High Similarity NPC307167
0.913 High Similarity NPC5632
0.913 High Similarity NPC229801
0.913 High Similarity NPC210759
0.9053 High Similarity NPC475207
0.9053 High Similarity NPC476112
0.9053 High Similarity NPC233649
0.9053 High Similarity NPC307534
0.9053 High Similarity NPC470028
0.9043 High Similarity NPC107962
0.9043 High Similarity NPC19400
0.9043 High Similarity NPC107188
0.9043 High Similarity NPC473610
0.9043 High Similarity NPC474399
0.9043 High Similarity NPC206003
0.9043 High Similarity NPC473727
0.9043 High Similarity NPC6295
0.9043 High Similarity NPC475351
0.9043 High Similarity NPC92196
0.9043 High Similarity NPC211354
0.9032 High Similarity NPC473726
0.9032 High Similarity NPC137004
0.9032 High Similarity NPC172838
0.9022 High Similarity NPC279329
0.9011 High Similarity NPC281004
0.8969 High Similarity NPC475574
0.8958 High Similarity NPC473518
0.8947 High Similarity NPC470864
0.8947 High Similarity NPC195297
0.8947 High Similarity NPC116756
0.8947 High Similarity NPC232037
0.8947 High Similarity NPC284104
0.8947 High Similarity NPC160426
0.8947 High Similarity NPC184617
0.8947 High Similarity NPC287483
0.8947 High Similarity NPC30856
0.8947 High Similarity NPC97700
0.8947 High Similarity NPC98018
0.8947 High Similarity NPC473601
0.8947 High Similarity NPC128572
0.8947 High Similarity NPC470863
0.8947 High Similarity NPC84111
0.8947 High Similarity NPC103616
0.8947 High Similarity NPC296936
0.8947 High Similarity NPC132080
0.8947 High Similarity NPC470865
0.8947 High Similarity NPC475643
0.8947 High Similarity NPC475625
0.8947 High Similarity NPC470866
0.8936 High Similarity NPC175
0.8936 High Similarity NPC305418
0.8925 High Similarity NPC36372
0.8925 High Similarity NPC293609
0.8913 High Similarity NPC102725
0.8913 High Similarity NPC20822
0.8913 High Similarity NPC131466
0.8913 High Similarity NPC82955
0.8913 High Similarity NPC473472
0.8854 High Similarity NPC470862
0.8854 High Similarity NPC83137
0.8854 High Similarity NPC232611
0.8854 High Similarity NPC274200
0.8854 High Similarity NPC115165
0.8854 High Similarity NPC51520
0.8854 High Similarity NPC303069
0.8854 High Similarity NPC470861
0.8842 High Similarity NPC473067
0.8842 High Similarity NPC473064
0.8842 High Similarity NPC473065
0.883 High Similarity NPC277774
0.8817 High Similarity NPC223143
0.8776 High Similarity NPC472081
0.8776 High Similarity NPC476512
0.8776 High Similarity NPC108227
0.8763 High Similarity NPC291548
0.875 High Similarity NPC203434
0.875 High Similarity NPC237071
0.875 High Similarity NPC238796
0.8696 High Similarity NPC43912
0.8696 High Similarity NPC140446
0.8687 High Similarity NPC134967
0.8687 High Similarity NPC114700
0.8687 High Similarity NPC470029
0.8687 High Similarity NPC310138
0.866 High Similarity NPC470591
0.8646 High Similarity NPC477494
0.8627 High Similarity NPC475634
0.86 High Similarity NPC476837
0.86 High Similarity NPC97260
0.86 High Similarity NPC139181
0.8544 High Similarity NPC474573
0.8542 High Similarity NPC30687
0.8526 High Similarity NPC59006
0.8495 Intermediate Similarity NPC472396
0.8478 Intermediate Similarity NPC273290
0.8478 Intermediate Similarity NPC232044
0.8478 Intermediate Similarity NPC290612
0.8469 Intermediate Similarity NPC210157
0.8454 Intermediate Similarity NPC94582
0.8454 Intermediate Similarity NPC57964
0.84 Intermediate Similarity NPC476839
0.84 Intermediate Similarity NPC476838
0.837 Intermediate Similarity NPC227260
0.8352 Intermediate Similarity NPC470611
0.8352 Intermediate Similarity NPC296734
0.8333 Intermediate Similarity NPC475521
0.8316 Intermediate Similarity NPC228059
0.8302 Intermediate Similarity NPC475312
0.83 Intermediate Similarity NPC470030
0.83 Intermediate Similarity NPC20028
0.8298 Intermediate Similarity NPC161928
0.8298 Intermediate Similarity NPC210658
0.8257 Intermediate Similarity NPC476692
0.8257 Intermediate Similarity NPC476691
0.8252 Intermediate Similarity NPC215408
0.8247 Intermediate Similarity NPC323231
0.8247 Intermediate Similarity NPC171741
0.8247 Intermediate Similarity NPC224003
0.8247 Intermediate Similarity NPC470623
0.8247 Intermediate Similarity NPC18724
0.8218 Intermediate Similarity NPC477172
0.8218 Intermediate Similarity NPC478106
0.8211 Intermediate Similarity NPC128475
0.8191 Intermediate Similarity NPC471240
0.8182 Intermediate Similarity NPC156377
0.8173 Intermediate Similarity NPC54619
0.8173 Intermediate Similarity NPC473469
0.8163 Intermediate Similarity NPC77717
0.8163 Intermediate Similarity NPC471373
0.8163 Intermediate Similarity NPC151214
0.8163 Intermediate Similarity NPC148593
0.8163 Intermediate Similarity NPC191915
0.8163 Intermediate Similarity NPC267238
0.8163 Intermediate Similarity NPC253611
0.8155 Intermediate Similarity NPC475365
0.8137 Intermediate Similarity NPC80191
0.8137 Intermediate Similarity NPC310031
0.8132 Intermediate Similarity NPC257296
0.8132 Intermediate Similarity NPC7479
0.8132 Intermediate Similarity NPC248944
0.8119 Intermediate Similarity NPC41843
0.81 Intermediate Similarity NPC76486

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473616 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
0.9239 High Similarity NPD8171 Discontinued
0.8333 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.8132 Intermediate Similarity NPD6928 Phase 2
0.7414 Intermediate Similarity NPD8296 Approved
0.7414 Intermediate Similarity NPD8380 Approved
0.7414 Intermediate Similarity NPD8335 Approved
0.7414 Intermediate Similarity NPD8379 Approved
0.7414 Intermediate Similarity NPD8378 Approved
0.7328 Intermediate Similarity NPD8377 Approved
0.7328 Intermediate Similarity NPD8294 Approved
0.7265 Intermediate Similarity NPD8033 Approved
0.7212 Intermediate Similarity NPD7991 Discontinued
0.7155 Intermediate Similarity NPD7328 Approved
0.7155 Intermediate Similarity NPD7327 Approved
0.7105 Intermediate Similarity NPD8133 Approved
0.7094 Intermediate Similarity NPD7516 Approved
0.6848 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6737 Remote Similarity NPD1811 Approved
0.6737 Remote Similarity NPD1810 Approved
0.6613 Remote Similarity NPD7507 Approved
0.6609 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6587 Remote Similarity NPD7319 Approved
0.6579 Remote Similarity NPD6412 Phase 2
0.6557 Remote Similarity NPD7503 Approved
0.65 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6434 Remote Similarity NPD8449 Approved
0.6421 Remote Similarity NPD2254 Approved
0.6421 Remote Similarity NPD2686 Approved
0.6421 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6421 Remote Similarity NPD2687 Approved
0.6417 Remote Similarity NPD6940 Discontinued
0.6385 Remote Similarity NPD8450 Suspended
0.6379 Remote Similarity NPD8174 Phase 2
0.6378 Remote Similarity NPD7736 Approved
0.6311 Remote Similarity NPD3669 Approved
0.6311 Remote Similarity NPD3670 Clinical (unspecified phase)
0.63 Remote Similarity NPD6697 Approved
0.63 Remote Similarity NPD6114 Approved
0.63 Remote Similarity NPD6115 Approved
0.63 Remote Similarity NPD6118 Approved
0.625 Remote Similarity NPD4787 Phase 1
0.624 Remote Similarity NPD6370 Approved
0.62 Remote Similarity NPD6116 Phase 1
0.619 Remote Similarity NPD8328 Phase 3
0.6172 Remote Similarity NPD8293 Discontinued
0.6129 Remote Similarity NPD371 Approved
0.61 Remote Similarity NPD6117 Approved
0.608 Remote Similarity NPD6059 Approved
0.608 Remote Similarity NPD6054 Approved
0.6063 Remote Similarity NPD6067 Discontinued
0.6055 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6055 Remote Similarity NPD6700 Approved
0.6 Remote Similarity NPD6702 Approved
0.6 Remote Similarity NPD6703 Approved
0.5957 Remote Similarity NPD7625 Phase 1
0.5906 Remote Similarity NPD6015 Approved
0.5906 Remote Similarity NPD6016 Approved
0.59 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5891 Remote Similarity NPD7492 Approved
0.5865 Remote Similarity NPD7525 Registered
0.5862 Remote Similarity NPD1700 Approved
0.5859 Remote Similarity NPD5988 Approved
0.5859 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5859 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5856 Remote Similarity NPD8034 Phase 2
0.5856 Remote Similarity NPD8035 Phase 2
0.5846 Remote Similarity NPD6616 Approved
0.5842 Remote Similarity NPD3703 Phase 2
0.5833 Remote Similarity NPD6686 Approved
0.5802 Remote Similarity NPD7078 Approved
0.5758 Remote Similarity NPD4244 Approved
0.5758 Remote Similarity NPD4245 Approved
0.5714 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4056 Clinical (unspecified phase)
0.569 Remote Similarity NPD7638 Approved
0.5686 Remote Similarity NPD3702 Approved
0.566 Remote Similarity NPD1780 Approved
0.566 Remote Similarity NPD1779 Approved
0.5657 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5657 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5657 Remote Similarity NPD3698 Phase 2
0.5645 Remote Similarity NPD6882 Approved
0.5645 Remote Similarity NPD8297 Approved
0.5641 Remote Similarity NPD7639 Approved
0.5641 Remote Similarity NPD7640 Approved
0.5639 Remote Similarity NPD6033 Approved
0.5638 Remote Similarity NPD6123 Approved
0.5636 Remote Similarity NPD7524 Approved
0.5619 Remote Similarity NPD7645 Phase 2
0.5603 Remote Similarity NPD7920 Phase 3
0.5603 Remote Similarity NPD7919 Phase 3

Structure

External Identifiers

PubChem CID   10032310
ChEMBL   CHEMBL447213
ZINC  

Physicochemical Properties

Molecular Weight:  658.34
ALogP:  -1.528
MLogP:  3.77
XLogP:  3.941
# Rotatable Bonds:  13
Polar Surface Area:  169.59
# H-Bond Aceptor:  11
# H-Bond Donor:  4
# Rings:  7
# Heavy Atoms:  45

Download Data

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