Natural Product: NPC161928

Natural Product ID:  NPC161928
Common Name:   Hippuristanol
IUPAC Name:  
Synonyms:   Hippuristanol
Molecular Formula:   C28H46O5
Standard InCHIKey:  HPHXKNOXVBFETI-SHCCRYCOSA-N
Standard InCHI:  InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1
Canonical SMILES:  O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1C[C@H]1[C@@H]2[C@@](C)(O)[C@@]2(O1)C[C@@H](C(O2)(C)C)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
NPO29201 Arctostaphylos uva-ursi Species Ericaceae Eukaryota UNPD*
NPO28685 Melochia pyramidata Species Malvaceae Eukaryota UNPD*
NPO28290 Pyrola chlorantha Species Ericaceae Eukaryota UNPD*
NPO28705 Acia ferruginea NA NA NA UNPD*
NPO29211 Alstroemeria aurea Species Alstroemeriaceae Eukaryota UNPD*
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota UNPD*
NPO28863 Isis minorbrachyblasta Species Isididae Eukaryota UNPD*
NPO28851 Lactarius atlanticus Species Russulaceae Eukaryota UNPD*
NPO26166 Eucalyptus macrocarpa Species Myrtaceae Eukaryota UNPD*
NPO28822 Centaurea imperialis Species Asteraceae Eukaryota UNPD*
NPO28780 Eucalyptus sieberi Species Myrtaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens IC50 = 70 nM 20409710
NPT2 Others Unspecified IC50 = 400 nM 16532013
NPT3820 Individual Protein Eukaryotic initiation factor 4A-I Homo sapiens FC = 2 16532013

  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 NPC161928 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
1.0 High Similarity NPC210658
0.9878 High Similarity NPC128475
0.9419 High Similarity NPC122083
0.9419 High Similarity NPC211845
0.9419 High Similarity NPC182740
0.9419 High Similarity NPC256104
0.9383 High Similarity NPC470611
0.907 High Similarity NPC20822
0.907 High Similarity NPC228059
0.9048 High Similarity NPC273290
0.9048 High Similarity NPC232044
0.9036 High Similarity NPC470070
0.8989 High Similarity NPC21897
0.8977 High Similarity NPC167644
0.8977 High Similarity NPC311246
0.8966 High Similarity NPC473542
0.8929 High Similarity NPC227260
0.8916 High Similarity NPC296734
0.8916 High Similarity NPC475388
0.8876 High Similarity NPC30687
0.8876 High Similarity NPC3538
0.8876 High Similarity NPC45959
0.8876 High Similarity NPC175
0.8876 High Similarity NPC477224
0.8876 High Similarity NPC252253
0.8876 High Similarity NPC113500
0.8864 High Similarity NPC59006
0.8864 High Similarity NPC5632
0.8864 High Similarity NPC149966
0.8851 High Similarity NPC82955
0.8824 High Similarity NPC290612
0.878 High Similarity NPC81074
0.878 High Similarity NPC477282
0.8778 High Similarity NPC473065
0.8778 High Similarity NPC473067
0.8778 High Similarity NPC473064
0.8765 High Similarity NPC64081
0.8765 High Similarity NPC133596
0.8765 High Similarity NPC11907
0.8765 High Similarity NPC474574
0.8764 High Similarity NPC88962
0.8764 High Similarity NPC144790
0.8764 High Similarity NPC149400
0.875 High Similarity NPC279329
0.8736 High Similarity NPC281004
0.8721 High Similarity NPC471240
0.871 High Similarity NPC477225
0.8696 High Similarity NPC292775
0.8681 High Similarity NPC304011
0.8681 High Similarity NPC156377
0.8681 High Similarity NPC476510
0.8681 High Similarity NPC139271
0.8681 High Similarity NPC142264
0.8675 High Similarity NPC7479
0.8675 High Similarity NPC257296
0.8675 High Similarity NPC248944
0.8667 High Similarity NPC253268
0.8667 High Similarity NPC24960
0.8667 High Similarity NPC291547
0.8667 High Similarity NPC473851
0.8667 High Similarity NPC475436
0.8667 High Similarity NPC131693
0.8667 High Similarity NPC179859
0.8667 High Similarity NPC312678
0.8667 High Similarity NPC174024
0.8667 High Similarity NPC473774
0.8652 High Similarity NPC36372
0.8652 High Similarity NPC293609
0.8652 High Similarity NPC210759
0.8652 High Similarity NPC229801
0.8652 High Similarity NPC307167
0.8636 High Similarity NPC473472
0.8636 High Similarity NPC102725
0.8621 High Similarity NPC43912
0.8621 High Similarity NPC472396
0.8621 High Similarity NPC140446
0.8587 High Similarity NPC477222
0.8587 High Similarity NPC477223
0.8587 High Similarity NPC233649
0.8587 High Similarity NPC470028
0.8571 High Similarity NPC474399
0.8556 High Similarity NPC177834
0.8556 High Similarity NPC141769
0.8556 High Similarity NPC477451
0.8556 High Similarity NPC48339
0.8556 High Similarity NPC249204
0.8556 High Similarity NPC297348
0.8556 High Similarity NPC250393
0.8556 High Similarity NPC325828
0.8556 High Similarity NPC277774
0.8556 High Similarity NPC234352
0.8556 High Similarity NPC477547
0.8539 High Similarity NPC65550
0.8539 High Similarity NPC223143
0.8519 High Similarity NPC317242
0.8519 High Similarity NPC91387
0.8519 High Similarity NPC231680
0.8519 High Similarity NPC270306
0.8506 High Similarity NPC155531
0.8506 High Similarity NPC215968
0.8495 Intermediate Similarity NPC473638
0.8488 Intermediate Similarity NPC474156
0.8478 Intermediate Similarity NPC121453
0.8462 Intermediate Similarity NPC222731
0.8462 Intermediate Similarity NPC264101
0.8462 Intermediate Similarity NPC305418
0.8462 Intermediate Similarity NPC291203
0.8462 Intermediate Similarity NPC217205
0.8462 Intermediate Similarity NPC309866
0.8462 Intermediate Similarity NPC473503
0.8462 Intermediate Similarity NPC294686
0.8462 Intermediate Similarity NPC471464
0.8444 Intermediate Similarity NPC204881
0.8444 Intermediate Similarity NPC473066
0.8444 Intermediate Similarity NPC473637
0.8444 Intermediate Similarity NPC476668
0.8444 Intermediate Similarity NPC473830
0.8438 Intermediate Similarity NPC100078
0.8427 Intermediate Similarity NPC131466
0.8421 Intermediate Similarity NPC244969
0.8421 Intermediate Similarity NPC213528
0.8415 Intermediate Similarity NPC163597
0.8404 Intermediate Similarity NPC470030
0.8391 Intermediate Similarity NPC266651
0.8387 Intermediate Similarity NPC274200
0.8387 Intermediate Similarity NPC307534
0.8387 Intermediate Similarity NPC476112
0.8387 Intermediate Similarity NPC475207
0.8372 Intermediate Similarity NPC477285
0.8372 Intermediate Similarity NPC111582
0.837 Intermediate Similarity NPC6295
0.837 Intermediate Similarity NPC469710
0.837 Intermediate Similarity NPC206003
0.837 Intermediate Similarity NPC107188
0.837 Intermediate Similarity NPC19400
0.837 Intermediate Similarity NPC92196
0.837 Intermediate Similarity NPC211354
0.837 Intermediate Similarity NPC473610
0.837 Intermediate Similarity NPC107962
0.837 Intermediate Similarity NPC473727
0.837 Intermediate Similarity NPC475351
0.8352 Intermediate Similarity NPC137004
0.8352 Intermediate Similarity NPC35164
0.8352 Intermediate Similarity NPC172838
0.8352 Intermediate Similarity NPC476669
0.8352 Intermediate Similarity NPC473726
0.8351 Intermediate Similarity NPC166079
0.8316 Intermediate Similarity NPC476512
0.8316 Intermediate Similarity NPC108227
0.8316 Intermediate Similarity NPC472081
0.8316 Intermediate Similarity NPC475574
0.8313 Intermediate Similarity NPC302578
0.8313 Intermediate Similarity NPC185915
0.8313 Intermediate Similarity NPC105208
0.8313 Intermediate Similarity NPC192046
0.8313 Intermediate Similarity NPC128951
0.8313 Intermediate Similarity NPC476233
0.8313 Intermediate Similarity NPC477227
0.8298 Intermediate Similarity NPC473518
0.8298 Intermediate Similarity NPC473616
0.8295 Intermediate Similarity NPC477283
0.828 Intermediate Similarity NPC128572
0.828 Intermediate Similarity NPC473601
0.828 Intermediate Similarity NPC475625
0.828 Intermediate Similarity NPC284104
0.828 Intermediate Similarity NPC237071
0.828 Intermediate Similarity NPC287483
0.828 Intermediate Similarity NPC470865
0.828 Intermediate Similarity NPC30856
0.828 Intermediate Similarity NPC232037
0.828 Intermediate Similarity NPC184617
0.828 Intermediate Similarity NPC97700
0.828 Intermediate Similarity NPC103616
0.828 Intermediate Similarity NPC475643
0.828 Intermediate Similarity NPC195297
0.828 Intermediate Similarity NPC473287
0.828 Intermediate Similarity NPC470864
0.828 Intermediate Similarity NPC238796
0.828 Intermediate Similarity NPC476728
0.828 Intermediate Similarity NPC84111
0.828 Intermediate Similarity NPC116756
0.828 Intermediate Similarity NPC132080
0.828 Intermediate Similarity NPC203434
0.828 Intermediate Similarity NPC470863
0.828 Intermediate Similarity NPC160426
0.828 Intermediate Similarity NPC470866
0.828 Intermediate Similarity NPC98018
0.8276 Intermediate Similarity NPC320824
0.8276 Intermediate Similarity NPC18953
0.8272 Intermediate Similarity NPC470610
0.8272 Intermediate Similarity NPC153719
0.8261 Intermediate Similarity NPC475325
0.8256 Intermediate Similarity NPC477286
0.8256 Intermediate Similarity NPC286719
0.8235 Intermediate Similarity NPC16449
0.8229 Intermediate Similarity NPC134967
0.8229 Intermediate Similarity NPC114700
0.8229 Intermediate Similarity NPC310138
0.8229 Intermediate Similarity NPC470029
0.8214 Intermediate Similarity NPC67657

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC161928 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
0.8675 High Similarity NPD6928 Phase 2
0.8556 High Similarity NPD8171 Discontinued
0.7901 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD7991 Discontinued
0.7176 Intermediate Similarity NPD4787 Phase 1
0.7027 Intermediate Similarity NPD7327 Approved
0.7027 Intermediate Similarity NPD7328 Approved
0.7 Intermediate Similarity NPD6115 Approved
0.7 Intermediate Similarity NPD6114 Approved
0.7 Intermediate Similarity NPD6118 Approved
0.7 Intermediate Similarity NPD6697 Approved
0.6964 Remote Similarity NPD7516 Approved
0.6932 Remote Similarity NPD1811 Approved
0.6932 Remote Similarity NPD1810 Approved
0.6903 Remote Similarity NPD8377 Approved
0.6903 Remote Similarity NPD8294 Approved
0.6889 Remote Similarity NPD6116 Phase 1
0.6842 Remote Similarity NPD8380 Approved
0.6842 Remote Similarity NPD8378 Approved
0.6842 Remote Similarity NPD8033 Approved
0.6842 Remote Similarity NPD8379 Approved
0.6842 Remote Similarity NPD8296 Approved
0.6842 Remote Similarity NPD8335 Approved
0.6782 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6778 Remote Similarity NPD6117 Approved
0.6754 Remote Similarity NPD6059 Approved
0.6754 Remote Similarity NPD6054 Approved
0.6731 Remote Similarity NPD1700 Approved
0.6667 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD371 Approved
0.6667 Remote Similarity NPD8133 Approved
0.6638 Remote Similarity NPD6370 Approved
0.661 Remote Similarity NPD7507 Approved
0.6591 Remote Similarity NPD2686 Approved
0.6591 Remote Similarity NPD2687 Approved
0.6591 Remote Similarity NPD2254 Approved
0.6574 Remote Similarity NPD6412 Phase 2
0.6556 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6555 Remote Similarity NPD7078 Approved
0.6552 Remote Similarity NPD6016 Approved
0.6552 Remote Similarity NPD6015 Approved
0.6525 Remote Similarity NPD7492 Approved
0.6517 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6517 Remote Similarity NPD4808 Clinical (unspecified phase)
0.65 Remote Similarity NPD7736 Approved
0.6496 Remote Similarity NPD5988 Approved
0.6484 Remote Similarity NPD3703 Phase 2
0.6471 Remote Similarity NPD6616 Approved
0.6446 Remote Similarity NPD7319 Approved
0.6417 Remote Similarity NPD8293 Discontinued
0.641 Remote Similarity NPD7503 Approved
0.6404 Remote Similarity NPD4245 Approved
0.6404 Remote Similarity NPD4244 Approved
0.6404 Remote Similarity NPD6940 Discontinued
0.6364 Remote Similarity NPD8174 Phase 2
0.6304 Remote Similarity NPD3702 Approved
0.6292 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6292 Remote Similarity NPD3698 Phase 2
0.6292 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6289 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6289 Remote Similarity NPD3669 Approved
0.6239 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6239 Remote Similarity NPD4057 Clinical (unspecified phase)
0.623 Remote Similarity NPD6033 Approved
0.6226 Remote Similarity NPD7638 Approved
0.6207 Remote Similarity NPD6009 Approved
0.62 Remote Similarity NPD7524 Approved
0.618 Remote Similarity NPD5361 Clinical (unspecified phase)
0.618 Remote Similarity NPD5360 Phase 3
0.6168 Remote Similarity NPD7639 Approved
0.6168 Remote Similarity NPD7640 Approved
0.6167 Remote Similarity NPD6067 Discontinued
0.6161 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6154 Remote Similarity NPD5777 Approved
0.614 Remote Similarity NPD6882 Approved
0.6117 Remote Similarity NPD8034 Phase 2
0.6117 Remote Similarity NPD8035 Phase 2
0.6087 Remote Similarity NPD4632 Approved
0.6071 Remote Similarity NPD7320 Approved
0.6061 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6055 Remote Similarity NPD7632 Discontinued
0.605 Remote Similarity NPD6319 Approved
0.6044 Remote Similarity NPD4789 Approved
0.6036 Remote Similarity NPD6402 Approved
0.6036 Remote Similarity NPD7128 Approved
0.6036 Remote Similarity NPD5739 Approved
0.6036 Remote Similarity NPD6675 Approved
0.6024 Remote Similarity NPD2267 Suspended
0.6019 Remote Similarity NPD6700 Approved
0.6019 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6 Remote Similarity NPD8297 Approved
0.5979 Remote Similarity NPD4748 Discontinued
0.5963 Remote Similarity NPD4159 Approved
0.5962 Remote Similarity NPD6702 Approved
0.5962 Remote Similarity NPD6703 Approved
0.596 Remote Similarity NPD6695 Phase 3
0.5941 Remote Similarity NPD8308 Discontinued
0.5932 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6881 Approved
0.5929 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6899 Approved
0.5906 Remote Similarity NPD8449 Approved
0.5895 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5893 Remote Similarity NPD6008 Approved
0.5882 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5877 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5877 Remote Similarity NPD6372 Approved
0.5877 Remote Similarity NPD6373 Approved
0.5876 Remote Similarity NPD7645 Phase 2
0.5859 Remote Similarity NPD8450 Suspended
0.5843 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5841 Remote Similarity NPD5701 Approved
0.5841 Remote Similarity NPD5697 Approved
0.5833 Remote Similarity NPD4755 Approved
0.5826 Remote Similarity NPD7102 Approved
0.5826 Remote Similarity NPD6883 Approved
0.5826 Remote Similarity NPD4634 Approved
0.5826 Remote Similarity NPD7290 Approved
0.5806 Remote Similarity NPD4758 Discontinued
0.5806 Remote Similarity NPD6081 Approved
0.58 Remote Similarity NPD4788 Approved
0.5789 Remote Similarity NPD7339 Approved
0.5789 Remote Similarity NPD6686 Approved
0.5789 Remote Similarity NPD6942 Approved
0.5776 Remote Similarity NPD6650 Approved
0.5776 Remote Similarity NPD6869 Approved
0.5776 Remote Similarity NPD6847 Approved
0.5776 Remote Similarity NPD6617 Approved
0.5776 Remote Similarity NPD6649 Approved
0.5776 Remote Similarity NPD8130 Phase 1
0.5773 Remote Similarity NPD5364 Discontinued
0.5773 Remote Similarity NPD3671 Phase 1
0.5772 Remote Similarity NPD7604 Phase 2
0.5758 Remote Similarity NPD1780 Approved
0.5758 Remote Similarity NPD1779 Approved
0.5755 Remote Similarity NPD4202 Approved
0.5748 Remote Similarity NPD5956 Approved
0.5739 Remote Similarity NPD6013 Approved
0.5739 Remote Similarity NPD6012 Approved
0.5739 Remote Similarity NPD6014 Approved
0.5738 Remote Similarity NPD5983 Phase 2
0.5729 Remote Similarity NPD6933 Approved
0.5728 Remote Similarity NPD7750 Discontinued
0.5727 Remote Similarity NPD8418 Phase 2
0.5727 Remote Similarity NPD4696 Approved
0.5727 Remote Similarity NPD5286 Approved
0.5727 Remote Similarity NPD5285 Approved
0.5727 Remote Similarity NPD4700 Approved
0.5693 Remote Similarity NPD7625 Phase 1
0.5688 Remote Similarity NPD6084 Phase 2
0.5688 Remote Similarity NPD6083 Phase 2
0.568 Remote Similarity NPD6336 Discontinued
0.5657 Remote Similarity NPD6930 Phase 2
0.5657 Remote Similarity NPD6931 Approved
0.5652 Remote Similarity NPD6011 Approved
0.5652 Remote Similarity NPD6705 Phase 1
0.5645 Remote Similarity NPD8328 Phase 3
0.5641 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5638 Remote Similarity NPD4243 Approved
0.5625 Remote Similarity NPD5226 Approved
0.5625 Remote Similarity NPD5225 Approved
0.5625 Remote Similarity NPD4633 Approved
0.5625 Remote Similarity NPD5224 Approved
0.5625 Remote Similarity NPD5211 Phase 2
0.5607 Remote Similarity NPD6399 Phase 3
0.5604 Remote Similarity NPD4224 Phase 2

Structure

External Identifiers

PubChem CID   9981822
ChEMBL   CHEMBL1098427
ZINC  

Physicochemical Properties

Molecular Weight:  462.33
ALogP:  0.0059
MLogP:  3.99
XLogP:  4.83
# Rotatable Bonds:  9
Polar Surface Area:  79.15
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  33

Download Data

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