Natural Product: NPC292775

Natural Product ID:  NPC292775
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H48O9
Standard InCHIKey:  FAZQTSAPEDGOHD-DZZQBEQMSA-N
Standard InCHI:  InChI=1S/C32H48O9/c1-15-12-32(41-28(15,4)5)30(7)26-23(39-32)11-20-19-9-8-18-10-22(37-16(2)33)24(38-17(3)34)14-29(18,6)25(19)21(35)13-31(20,26)27(36)40-30/h15,18-27,35-36H,8-14H2,1-7H3/t15-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,29-,30+,31+,32-/m0/s1
Canonical SMILES:  CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C[C@@H]1OC(=O)C)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]23[C@H]1C[C@H]1[C@@H]3[C@](O[C@H]2O)(C)[C@]2(O1)C[C@@H](C(O2)(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
NPO19653 Isis hippuris Species Isididae Eukaryota PMID[15974612]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 20 ug/ml 8411013
NPT65 Cell Line HepG2 Homo sapiens IC50 > 20 ug/ml Open TG-GATES in vivo data: Organ Weight
NPT83 Cell Line MCF7 Homo sapiens IC50 = 11.39 ug/ml 24389510

  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 NPC292775 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
0.967 High Similarity NPC21897
0.9355 High Similarity NPC145553
0.9239 High Similarity NPC122083
0.9239 High Similarity NPC256104
0.9239 High Similarity NPC182740
0.9239 High Similarity NPC211845
0.9032 High Similarity NPC35164
0.899 High Similarity NPC306776
0.8913 High Similarity NPC20822
0.8804 High Similarity NPC128475
0.88 High Similarity NPC166079
0.8776 High Similarity NPC472081
0.8776 High Similarity NPC476512
0.8776 High Similarity NPC475574
0.8776 High Similarity NPC108227
0.875 High Similarity NPC203434
0.875 High Similarity NPC237071
0.875 High Similarity NPC238796
0.8737 High Similarity NPC477224
0.8737 High Similarity NPC3538
0.8737 High Similarity NPC113500
0.8723 High Similarity NPC5632
0.8723 High Similarity NPC149966
0.87 High Similarity NPC100078
0.8696 High Similarity NPC210658
0.8696 High Similarity NPC161928
0.8687 High Similarity NPC134967
0.8687 High Similarity NPC114700
0.8687 High Similarity NPC470029
0.8687 High Similarity NPC310138
0.8687 High Similarity NPC213528
0.8687 High Similarity NPC244969
0.8673 High Similarity NPC470030
0.8646 High Similarity NPC94582
0.8646 High Similarity NPC57964
0.8632 High Similarity NPC167644
0.8632 High Similarity NPC311246
0.8617 High Similarity NPC473542
0.8602 High Similarity NPC470872
0.86 High Similarity NPC139181
0.86 High Similarity NPC476837
0.86 High Similarity NPC97260
0.8586 High Similarity NPC477225
0.8557 High Similarity NPC156377
0.8557 High Similarity NPC296936
0.8542 High Similarity NPC252253
0.8542 High Similarity NPC175
0.8542 High Similarity NPC151214
0.8542 High Similarity NPC45959
0.8542 High Similarity NPC191915
0.8526 High Similarity NPC473066
0.8526 High Similarity NPC293609
0.8511 High Similarity NPC473472
0.8511 High Similarity NPC82955
0.8469 Intermediate Similarity NPC477223
0.8469 Intermediate Similarity NPC477222
0.8469 Intermediate Similarity NPC470591
0.8454 Intermediate Similarity NPC473067
0.8454 Intermediate Similarity NPC473065
0.8454 Intermediate Similarity NPC473064
0.8438 Intermediate Similarity NPC144790
0.8438 Intermediate Similarity NPC88962
0.8438 Intermediate Similarity NPC149400
0.8438 Intermediate Similarity NPC277774
0.8421 Intermediate Similarity NPC223143
0.8421 Intermediate Similarity NPC279329
0.8404 Intermediate Similarity NPC281004
0.84 Intermediate Similarity NPC476839
0.84 Intermediate Similarity NPC476838
0.8387 Intermediate Similarity NPC155531
0.8387 Intermediate Similarity NPC215968
0.8387 Intermediate Similarity NPC477283
0.8384 Intermediate Similarity NPC473638
0.837 Intermediate Similarity NPC18953
0.8367 Intermediate Similarity NPC476510
0.8367 Intermediate Similarity NPC252056
0.8367 Intermediate Similarity NPC139271
0.8367 Intermediate Similarity NPC121453
0.8367 Intermediate Similarity NPC142264
0.8367 Intermediate Similarity NPC304011
0.8352 Intermediate Similarity NPC470611
0.8351 Intermediate Similarity NPC291547
0.8351 Intermediate Similarity NPC475436
0.8351 Intermediate Similarity NPC294686
0.8351 Intermediate Similarity NPC174024
0.8351 Intermediate Similarity NPC179859
0.8351 Intermediate Similarity NPC473851
0.8351 Intermediate Similarity NPC253268
0.8351 Intermediate Similarity NPC222731
0.8351 Intermediate Similarity NPC131693
0.8351 Intermediate Similarity NPC24960
0.8351 Intermediate Similarity NPC473774
0.8351 Intermediate Similarity NPC312678
0.8333 Intermediate Similarity NPC59006
0.8333 Intermediate Similarity NPC36372
0.8333 Intermediate Similarity NPC307167
0.8333 Intermediate Similarity NPC210759
0.8333 Intermediate Similarity NPC229801
0.8316 Intermediate Similarity NPC102725
0.8298 Intermediate Similarity NPC45833
0.8298 Intermediate Similarity NPC62202
0.8298 Intermediate Similarity NPC43912
0.8298 Intermediate Similarity NPC213658
0.8298 Intermediate Similarity NPC140446
0.8298 Intermediate Similarity NPC110365
0.8283 Intermediate Similarity NPC470028
0.8283 Intermediate Similarity NPC210157
0.8283 Intermediate Similarity NPC233649
0.828 Intermediate Similarity NPC266651
0.828 Intermediate Similarity NPC235402
0.8265 Intermediate Similarity NPC474399
0.8265 Intermediate Similarity NPC92196
0.8261 Intermediate Similarity NPC477285
0.8261 Intermediate Similarity NPC111582
0.8247 Intermediate Similarity NPC250393
0.8247 Intermediate Similarity NPC325828
0.8247 Intermediate Similarity NPC249204
0.8247 Intermediate Similarity NPC475307
0.8247 Intermediate Similarity NPC234352
0.8247 Intermediate Similarity NPC477547
0.8247 Intermediate Similarity NPC477451
0.8247 Intermediate Similarity NPC48339
0.8247 Intermediate Similarity NPC177834
0.8247 Intermediate Similarity NPC297348
0.8247 Intermediate Similarity NPC141769
0.8247 Intermediate Similarity NPC476669
0.8229 Intermediate Similarity NPC65550
0.82 Intermediate Similarity NPC473518
0.8191 Intermediate Similarity NPC471411
0.8191 Intermediate Similarity NPC471410
0.8182 Intermediate Similarity NPC475765
0.8182 Intermediate Similarity NPC473287
0.8182 Intermediate Similarity NPC195297
0.8182 Intermediate Similarity NPC473601
0.8163 Intermediate Similarity NPC217205
0.8163 Intermediate Similarity NPC264101
0.8163 Intermediate Similarity NPC291203
0.8163 Intermediate Similarity NPC305418
0.8163 Intermediate Similarity NPC471464
0.8163 Intermediate Similarity NPC30687
0.8163 Intermediate Similarity NPC473503
0.8163 Intermediate Similarity NPC475325
0.8163 Intermediate Similarity NPC309866
0.8152 Intermediate Similarity NPC286719
0.8152 Intermediate Similarity NPC477286
0.8152 Intermediate Similarity NPC477284
0.8148 Intermediate Similarity NPC79193
0.8144 Intermediate Similarity NPC473830
0.8144 Intermediate Similarity NPC476668
0.8144 Intermediate Similarity NPC473637
0.8144 Intermediate Similarity NPC204881
0.8132 Intermediate Similarity NPC471217
0.8132 Intermediate Similarity NPC471216
0.8125 Intermediate Similarity NPC131466
0.8105 Intermediate Similarity NPC472396
0.81 Intermediate Similarity NPC470862
0.81 Intermediate Similarity NPC232611
0.81 Intermediate Similarity NPC274200
0.81 Intermediate Similarity NPC307534
0.81 Intermediate Similarity NPC470861
0.81 Intermediate Similarity NPC303069
0.81 Intermediate Similarity NPC51520
0.81 Intermediate Similarity NPC83137
0.81 Intermediate Similarity NPC476112
0.81 Intermediate Similarity NPC475207
0.81 Intermediate Similarity NPC115165
0.8085 Intermediate Similarity NPC290612
0.8085 Intermediate Similarity NPC232044
0.8085 Intermediate Similarity NPC273290
0.8081 Intermediate Similarity NPC107188
0.8081 Intermediate Similarity NPC473610
0.8081 Intermediate Similarity NPC6295
0.8081 Intermediate Similarity NPC473727
0.8081 Intermediate Similarity NPC107962
0.8081 Intermediate Similarity NPC475351
0.8081 Intermediate Similarity NPC19400
0.8081 Intermediate Similarity NPC469710
0.8081 Intermediate Similarity NPC211354
0.8081 Intermediate Similarity NPC206003
0.8081 Intermediate Similarity NPC215570
0.8065 Intermediate Similarity NPC475820
0.8065 Intermediate Similarity NPC474284
0.8065 Intermediate Similarity NPC474253
0.8065 Intermediate Similarity NPC213737
0.8065 Intermediate Similarity NPC474346
0.8061 Intermediate Similarity NPC473726
0.8061 Intermediate Similarity NPC137004
0.8061 Intermediate Similarity NPC172838
0.8043 Intermediate Similarity NPC71541
0.8043 Intermediate Similarity NPC190940
0.8039 Intermediate Similarity NPC477172
0.8022 Intermediate Similarity NPC477287
0.8022 Intermediate Similarity NPC476176
0.8021 Intermediate Similarity NPC56777
0.8021 Intermediate Similarity NPC201607
0.802 Intermediate Similarity NPC291548
0.802 Intermediate Similarity NPC473616
0.8 Intermediate Similarity NPC84111
0.8 Intermediate Similarity NPC474008
0.8 Intermediate Similarity NPC470865

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC292775 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
0.8247 Intermediate Similarity NPD8171 Discontinued
0.781 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD6928 Phase 2
0.7391 Intermediate Similarity NPD7516 Approved
0.7328 Intermediate Similarity NPD8377 Approved
0.7328 Intermediate Similarity NPD8294 Approved
0.7304 Intermediate Similarity NPD7327 Approved
0.7304 Intermediate Similarity NPD7328 Approved
0.7265 Intermediate Similarity NPD8380 Approved
0.7265 Intermediate Similarity NPD8379 Approved
0.7265 Intermediate Similarity NPD8296 Approved
0.7265 Intermediate Similarity NPD8378 Approved
0.7265 Intermediate Similarity NPD8335 Approved
0.7265 Intermediate Similarity NPD8033 Approved
0.7105 Intermediate Similarity NPD8133 Approved
0.6979 Remote Similarity NPD6118 Approved
0.6979 Remote Similarity NPD6114 Approved
0.6979 Remote Similarity NPD6115 Approved
0.6979 Remote Similarity NPD6697 Approved
0.6911 Remote Similarity NPD7736 Approved
0.6887 Remote Similarity NPD7991 Discontinued
0.6885 Remote Similarity NPD7507 Approved
0.6881 Remote Similarity NPD1700 Approved
0.6875 Remote Similarity NPD6116 Phase 1
0.6848 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6847 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6847 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6829 Remote Similarity NPD8293 Discontinued
0.68 Remote Similarity NPD3670 Clinical (unspecified phase)
0.68 Remote Similarity NPD3669 Approved
0.6771 Remote Similarity NPD6117 Approved
0.6754 Remote Similarity NPD8132 Clinical (unspecified phase)
0.672 Remote Similarity NPD7319 Approved
0.6694 Remote Similarity NPD7503 Approved
0.6639 Remote Similarity NPD6370 Approved
0.6596 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6562 Remote Similarity NPD1810 Approved
0.6562 Remote Similarity NPD1811 Approved
0.656 Remote Similarity NPD7078 Approved
0.6555 Remote Similarity NPD6940 Discontinued
0.6532 Remote Similarity NPD7492 Approved
0.648 Remote Similarity NPD6616 Approved
0.6475 Remote Similarity NPD6059 Approved
0.6475 Remote Similarity NPD6054 Approved
0.6435 Remote Similarity NPD6412 Phase 2
0.6421 Remote Similarity NPD4787 Phase 1
0.6364 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6327 Remote Similarity NPD3702 Approved
0.6303 Remote Similarity NPD8297 Approved
0.6303 Remote Similarity NPD6882 Approved
0.6296 Remote Similarity NPD8035 Phase 2
0.6296 Remote Similarity NPD8034 Phase 2
0.629 Remote Similarity NPD6016 Approved
0.629 Remote Similarity NPD6015 Approved
0.625 Remote Similarity NPD7638 Approved
0.625 Remote Similarity NPD2687 Approved
0.625 Remote Similarity NPD2686 Approved
0.625 Remote Similarity NPD2254 Approved
0.624 Remote Similarity NPD5988 Approved
0.623 Remote Similarity NPD6009 Approved
0.6195 Remote Similarity NPD7639 Approved
0.6195 Remote Similarity NPD7640 Approved
0.619 Remote Similarity NPD6067 Discontinued
0.6186 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6186 Remote Similarity NPD5777 Approved
0.6186 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6162 Remote Similarity NPD3703 Phase 2
0.6117 Remote Similarity NPD1779 Approved
0.6117 Remote Similarity NPD1780 Approved
0.6102 Remote Similarity NPD6686 Approved
0.6102 Remote Similarity NPD7320 Approved
0.6087 Remote Similarity NPD7632 Discontinued
0.6082 Remote Similarity NPD4244 Approved
0.6082 Remote Similarity NPD4245 Approved
0.608 Remote Similarity NPD6319 Approved
0.6071 Remote Similarity NPD7625 Phase 1
0.6068 Remote Similarity NPD5739 Approved
0.6068 Remote Similarity NPD6675 Approved
0.6068 Remote Similarity NPD7128 Approved
0.6068 Remote Similarity NPD6402 Approved
0.6063 Remote Similarity NPD8328 Phase 3
0.605 Remote Similarity NPD6373 Approved
0.605 Remote Similarity NPD6372 Approved
0.6038 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6019 Remote Similarity NPD7525 Registered
0.6 Remote Similarity NPD6033 Approved
0.5984 Remote Similarity NPD4632 Approved
0.5979 Remote Similarity NPD3698 Phase 2
0.5979 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5979 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5966 Remote Similarity NPD6899 Approved
0.5966 Remote Similarity NPD6881 Approved
0.5966 Remote Similarity NPD8174 Phase 2
0.5966 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5957 Remote Similarity NPD371 Approved
0.595 Remote Similarity NPD6650 Approved
0.595 Remote Similarity NPD8130 Phase 1
0.595 Remote Similarity NPD6649 Approved
0.5932 Remote Similarity NPD6008 Approved
0.5917 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5913 Remote Similarity NPD8418 Phase 2
0.5882 Remote Similarity NPD5701 Approved
0.5882 Remote Similarity NPD5697 Approved
0.5876 Remote Similarity NPD5360 Phase 3
0.5876 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5868 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5868 Remote Similarity NPD6883 Approved
0.5868 Remote Similarity NPD7290 Approved
0.5868 Remote Similarity NPD7102 Approved
0.5859 Remote Similarity NPD6081 Approved
0.5821 Remote Similarity NPD8449 Approved
0.582 Remote Similarity NPD6847 Approved
0.582 Remote Similarity NPD6617 Approved
0.582 Remote Similarity NPD6869 Approved
0.5814 Remote Similarity NPD7604 Phase 2
0.5785 Remote Similarity NPD6013 Approved
0.5785 Remote Similarity NPD6014 Approved
0.5785 Remote Similarity NPD6012 Approved
0.5781 Remote Similarity NPD5983 Phase 2
0.5778 Remote Similarity NPD8450 Suspended
0.5758 Remote Similarity NPD4789 Approved
0.5739 Remote Similarity NPD6084 Phase 2
0.5739 Remote Similarity NPD6083 Phase 2
0.5725 Remote Similarity NPD6336 Discontinued
0.5702 Remote Similarity NPD6011 Approved
0.5691 Remote Similarity NPD6401 Clinical (unspecified phase)
0.567 Remote Similarity NPD4224 Phase 2
0.5664 Remote Similarity NPD6399 Phase 3
0.5636 Remote Similarity NPD7524 Approved
0.562 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5603 Remote Similarity NPD4755 Approved

Structure

External Identifiers

PubChem CID   11261673
ChEMBL   CHEMBL505560
ZINC  

Physicochemical Properties

Molecular Weight:  576.33
ALogP:  -0.1225
MLogP:  3.99
XLogP:  4.42
# Rotatable Bonds:  13
Polar Surface Area:  120.75
# H-Bond Aceptor:  9
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  41

Download Data

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