Natural Product: NPC30687

Natural Product ID:  NPC30687
Common Name:   Acteol
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O6
Standard InCHIKey:  UZJVPLXQVOYCBE-GSUMKISMSA-N
Standard InCHI:  InChI=1S/C30H46O6/c1-15-11-30(22-27(6,35-22)23(33)36-30)34-16-12-25(4)18-8-7-17-24(2,3)19(31)9-10-28(17)14-29(18,28)13-20(32)26(25,5)21(15)16/h15-23,31-33H,7-14H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22+,23+,25+,26-,27-,28-,29+,30-/m1/s1
Canonical SMILES:  C[C@@H]1C[C@@]2(O[C@@H]3[C@H]1[C@@]1(C)[C@H](O)C[C@@]45[C@H]([C@@]1(C3)C)CC[C@@H]1[C@]5(C4)CC[C@@H](C1(C)C)O)O[C@@H]([C@]1([C@@H]2O1)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
NPO33019 cimicifuga yunnanensis Species Ranunculaceae Eukaryota Aerial parts PMID[23621813]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1893 Cell Line MEF Mus musculus IC50 = 7400 nM 26147490

  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 NPC30687 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
0.9551 High Similarity NPC175
0.9545 High Similarity NPC59006
0.9457 High Similarity NPC470030
0.9444 High Similarity NPC473064
0.9444 High Similarity NPC473067
0.9444 High Similarity NPC473065
0.9341 High Similarity NPC142264
0.9341 High Similarity NPC476510
0.9318 High Similarity NPC228059
0.9239 High Similarity NPC475207
0.9239 High Similarity NPC233649
0.9239 High Similarity NPC470028
0.9222 High Similarity NPC167644
0.9222 High Similarity NPC311246
0.9213 High Similarity NPC473542
0.9158 High Similarity NPC97260
0.9158 High Similarity NPC476837
0.9158 High Similarity NPC139181
0.9121 High Similarity NPC3538
0.9121 High Similarity NPC113500
0.9121 High Similarity NPC252253
0.9121 High Similarity NPC45959
0.9121 High Similarity NPC477224
0.9111 High Similarity NPC149966
0.9111 High Similarity NPC5632
0.9101 High Similarity NPC82955
0.908 High Similarity NPC290612
0.9011 High Similarity NPC149400
0.9011 High Similarity NPC473726
0.9011 High Similarity NPC88962
0.9011 High Similarity NPC144790
0.9 High Similarity NPC279329
0.8989 High Similarity NPC281004
0.8966 High Similarity NPC474156
0.8947 High Similarity NPC476512
0.8947 High Similarity NPC108227
0.8947 High Similarity NPC472081
0.8925 High Similarity NPC252056
0.8925 High Similarity NPC304011
0.8925 High Similarity NPC139271
0.8925 High Similarity NPC156377
0.8913 High Similarity NPC253268
0.8913 High Similarity NPC291547
0.8913 High Similarity NPC131693
0.8913 High Similarity NPC473774
0.8913 High Similarity NPC174024
0.8913 High Similarity NPC473851
0.8913 High Similarity NPC24960
0.8913 High Similarity NPC179859
0.8913 High Similarity NPC475436
0.8913 High Similarity NPC312678
0.8901 High Similarity NPC210759
0.8901 High Similarity NPC36372
0.8901 High Similarity NPC293609
0.8901 High Similarity NPC229801
0.8901 High Similarity NPC307167
0.8889 High Similarity NPC20822
0.8889 High Similarity NPC102725
0.8889 High Similarity NPC473472
0.8876 High Similarity NPC140446
0.8876 High Similarity NPC161928
0.8876 High Similarity NPC210658
0.8876 High Similarity NPC43912
0.8864 High Similarity NPC273290
0.8864 High Similarity NPC232044
0.8854 High Similarity NPC114700
0.8854 High Similarity NPC134967
0.8854 High Similarity NPC310138
0.8854 High Similarity NPC470029
0.883 High Similarity NPC477223
0.883 High Similarity NPC477222
0.8817 High Similarity NPC474399
0.8804 High Similarity NPC477451
0.8804 High Similarity NPC325828
0.8804 High Similarity NPC277774
0.8804 High Similarity NPC48339
0.8804 High Similarity NPC297348
0.8804 High Similarity NPC141769
0.8804 High Similarity NPC249204
0.8804 High Similarity NPC177834
0.8804 High Similarity NPC250393
0.8804 High Similarity NPC234352
0.8804 High Similarity NPC477547
0.8791 High Similarity NPC65550
0.8791 High Similarity NPC223143
0.8778 High Similarity NPC128475
0.875 High Similarity NPC227260
0.8737 High Similarity NPC473638
0.8736 High Similarity NPC475388
0.8736 High Similarity NPC296734
0.8736 High Similarity NPC470611
0.8723 High Similarity NPC121453
0.871 High Similarity NPC294686
0.871 High Similarity NPC264101
0.871 High Similarity NPC291203
0.871 High Similarity NPC217205
0.871 High Similarity NPC309866
0.871 High Similarity NPC222731
0.871 High Similarity NPC305418
0.871 High Similarity NPC191915
0.871 High Similarity NPC473503
0.871 High Similarity NPC471464
0.871 High Similarity NPC151214
0.8696 High Similarity NPC476668
0.8696 High Similarity NPC473637
0.8696 High Similarity NPC473830
0.8696 High Similarity NPC204881
0.8681 High Similarity NPC131466
0.8667 High Similarity NPC472396
0.8632 High Similarity NPC307534
0.8632 High Similarity NPC476112
0.8632 High Similarity NPC274200
0.8617 High Similarity NPC92196
0.8617 High Similarity NPC469710
0.8617 High Similarity NPC475351
0.8617 High Similarity NPC19400
0.8617 High Similarity NPC473727
0.8617 High Similarity NPC107962
0.8617 High Similarity NPC211354
0.8617 High Similarity NPC6295
0.8617 High Similarity NPC206003
0.8617 High Similarity NPC107188
0.8617 High Similarity NPC473610
0.8602 High Similarity NPC137004
0.8602 High Similarity NPC172838
0.8602 High Similarity NPC476669
0.8557 High Similarity NPC475574
0.8557 High Similarity NPC476839
0.8557 High Similarity NPC476838
0.8557 High Similarity NPC477225
0.8556 High Similarity NPC471240
0.8542 High Similarity NPC473518
0.8542 High Similarity NPC473616
0.8526 High Similarity NPC203434
0.8526 High Similarity NPC470866
0.8526 High Similarity NPC103616
0.8526 High Similarity NPC232037
0.8526 High Similarity NPC473601
0.8526 High Similarity NPC98018
0.8526 High Similarity NPC132080
0.8526 High Similarity NPC470863
0.8526 High Similarity NPC160426
0.8526 High Similarity NPC475625
0.8526 High Similarity NPC470865
0.8526 High Similarity NPC237071
0.8526 High Similarity NPC473287
0.8526 High Similarity NPC184617
0.8526 High Similarity NPC470864
0.8526 High Similarity NPC97700
0.8526 High Similarity NPC238796
0.8526 High Similarity NPC128572
0.8526 High Similarity NPC284104
0.8526 High Similarity NPC30856
0.8526 High Similarity NPC195297
0.8526 High Similarity NPC475643
0.8526 High Similarity NPC84111
0.8526 High Similarity NPC287483
0.8526 High Similarity NPC116756
0.8511 High Similarity NPC475325
0.8506 High Similarity NPC7479
0.8506 High Similarity NPC248944
0.8506 High Similarity NPC257296
0.8454 Intermediate Similarity NPC41843
0.8438 Intermediate Similarity NPC232611
0.8438 Intermediate Similarity NPC83137
0.8438 Intermediate Similarity NPC470861
0.8438 Intermediate Similarity NPC115165
0.8438 Intermediate Similarity NPC51520
0.8438 Intermediate Similarity NPC303069
0.8438 Intermediate Similarity NPC470862
0.8427 Intermediate Similarity NPC470070
0.8421 Intermediate Similarity NPC21897
0.8404 Intermediate Similarity NPC211845
0.8404 Intermediate Similarity NPC256104
0.8404 Intermediate Similarity NPC122083
0.8404 Intermediate Similarity NPC182740
0.8367 Intermediate Similarity NPC31346
0.8351 Intermediate Similarity NPC291548
0.8333 Intermediate Similarity NPC296936
0.8298 Intermediate Similarity NPC473066
0.8276 Intermediate Similarity NPC177343
0.8247 Intermediate Similarity NPC470591
0.8235 Intermediate Similarity NPC476513
0.8229 Intermediate Similarity NPC94582
0.8229 Intermediate Similarity NPC57964
0.8229 Intermediate Similarity NPC477494
0.8182 Intermediate Similarity NPC477282
0.8182 Intermediate Similarity NPC477172
0.8182 Intermediate Similarity NPC81074
0.8173 Intermediate Similarity NPC473062
0.8163 Intermediate Similarity NPC292775
0.8161 Intermediate Similarity NPC64081
0.8161 Intermediate Similarity NPC476233
0.8161 Intermediate Similarity NPC133596
0.8161 Intermediate Similarity NPC11907
0.8161 Intermediate Similarity NPC474574
0.8155 Intermediate Similarity NPC208333
0.8155 Intermediate Similarity NPC476835
0.8155 Intermediate Similarity NPC227879
0.8152 Intermediate Similarity NPC471410

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC30687 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
0.8804 High Similarity NPD8171 Discontinued
0.8506 High Similarity NPD6928 Phase 2
0.7941 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD7991 Discontinued
0.7257 Intermediate Similarity NPD7327 Approved
0.7257 Intermediate Similarity NPD7328 Approved
0.7193 Intermediate Similarity NPD7516 Approved
0.713 Intermediate Similarity NPD8294 Approved
0.713 Intermediate Similarity NPD8377 Approved
0.7069 Intermediate Similarity NPD8296 Approved
0.7069 Intermediate Similarity NPD8335 Approved
0.7069 Intermediate Similarity NPD8380 Approved
0.7069 Intermediate Similarity NPD8378 Approved
0.7069 Intermediate Similarity NPD8379 Approved
0.7069 Intermediate Similarity NPD8033 Approved
0.7033 Intermediate Similarity NPD1811 Approved
0.7033 Intermediate Similarity NPD1810 Approved
0.6903 Remote Similarity NPD8133 Approved
0.6833 Remote Similarity NPD7507 Approved
0.6818 Remote Similarity NPD6412 Phase 2
0.6703 Remote Similarity NPD4787 Phase 1
0.6703 Remote Similarity NPD2686 Approved
0.6703 Remote Similarity NPD2687 Approved
0.6703 Remote Similarity NPD2254 Approved
0.6667 Remote Similarity NPD7319 Approved
0.6639 Remote Similarity NPD7503 Approved
0.6638 Remote Similarity NPD6940 Discontinued
0.6585 Remote Similarity NPD7736 Approved
0.6583 Remote Similarity NPD6370 Approved
0.6562 Remote Similarity NPD6118 Approved
0.6562 Remote Similarity NPD6115 Approved
0.6562 Remote Similarity NPD6697 Approved
0.6562 Remote Similarity NPD6114 Approved
0.6458 Remote Similarity NPD6116 Phase 1
0.6417 Remote Similarity NPD6054 Approved
0.6417 Remote Similarity NPD6059 Approved
0.6404 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6404 Remote Similarity NPD371 Approved
0.64 Remote Similarity NPD3670 Clinical (unspecified phase)
0.64 Remote Similarity NPD3669 Approved
0.6371 Remote Similarity NPD8293 Discontinued
0.6364 Remote Similarity NPD1700 Approved
0.6354 Remote Similarity NPD6117 Approved
0.6344 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6316 Remote Similarity NPD8174 Phase 2
0.6263 Remote Similarity NPD7525 Registered
0.623 Remote Similarity NPD6016 Approved
0.623 Remote Similarity NPD6015 Approved
0.621 Remote Similarity NPD7492 Approved
0.6179 Remote Similarity NPD5988 Approved
0.6167 Remote Similarity NPD8295 Clinical (unspecified phase)
0.616 Remote Similarity NPD6616 Approved
0.6146 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6129 Remote Similarity NPD6067 Discontinued
0.6124 Remote Similarity NPD8449 Approved
0.6111 Remote Similarity NPD7078 Approved
0.6105 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6105 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6082 Remote Similarity NPD3702 Approved
0.6082 Remote Similarity NPD3703 Phase 2
0.6077 Remote Similarity NPD8450 Suspended
0.6 Remote Similarity NPD4244 Approved
0.6 Remote Similarity NPD4245 Approved
0.5983 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5938 Remote Similarity NPD6033 Approved
0.5929 Remote Similarity NPD4159 Approved
0.5926 Remote Similarity NPD8035 Phase 2
0.5926 Remote Similarity NPD8034 Phase 2
0.5913 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5913 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5902 Remote Similarity NPD6009 Approved
0.5897 Remote Similarity NPD6686 Approved
0.5895 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5895 Remote Similarity NPD3698 Phase 2
0.5895 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5893 Remote Similarity NPD7638 Approved
0.5882 Remote Similarity NPD1780 Approved
0.5882 Remote Similarity NPD1779 Approved
0.5873 Remote Similarity NPD8328 Phase 3
0.5862 Remote Similarity NPD6008 Approved
0.5849 Remote Similarity NPD7524 Approved
0.5841 Remote Similarity NPD7639 Approved
0.5841 Remote Similarity NPD7640 Approved
0.5833 Remote Similarity NPD6882 Approved
0.581 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5795 Remote Similarity NPD2267 Suspended
0.5789 Remote Similarity NPD5360 Phase 3
0.5789 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5786 Remote Similarity NPD7625 Phase 1
0.5785 Remote Similarity NPD4632 Approved
0.5773 Remote Similarity NPD5777 Approved
0.5763 Remote Similarity NPD7320 Approved
0.5763 Remote Similarity NPD5345 Clinical (unspecified phase)
0.576 Remote Similarity NPD6319 Approved
0.5748 Remote Similarity NPD7604 Phase 2
0.5739 Remote Similarity NPD7632 Discontinued
0.5726 Remote Similarity NPD6675 Approved
0.5726 Remote Similarity NPD5739 Approved
0.5726 Remote Similarity NPD7128 Approved
0.5726 Remote Similarity NPD6402 Approved
0.5714 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5702 Remote Similarity NPD8297 Approved
0.5688 Remote Similarity NPD6701 Clinical (unspecified phase)
0.5688 Remote Similarity NPD6700 Approved
0.5686 Remote Similarity NPD7645 Phase 2
0.567 Remote Similarity NPD4789 Approved
0.5667 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5645 Remote Similarity NPD7115 Discovery
0.5636 Remote Similarity NPD6703 Approved
0.5636 Remote Similarity NPD6702 Approved
0.5631 Remote Similarity NPD4748 Discontinued
0.563 Remote Similarity NPD6899 Approved
0.563 Remote Similarity NPD6881 Approved
0.5619 Remote Similarity NPD6695 Phase 3
0.5607 Remote Similarity NPD8308 Discontinued

Structure

External Identifiers

PubChem CID   59595161
ChEMBL   CHEMBL2375503
ZINC  

Physicochemical Properties

Molecular Weight:  502.33
ALogP:  -0.0595
MLogP:  4.1
XLogP:  5.181
# Rotatable Bonds:  9
Polar Surface Area:  91.68
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  8
# 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