Natural Product: NPC11907

Natural Product ID:  NPC11907
Common Name:   (4R,20S,24S)-Epoxy,Dammarane-3Alpha,25,28-Triol
IUPAC Name:   (3R,4R,5R,8R,9R,10R,13R,14R,17S)-4-(hydroxymethyl)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,8,10,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:  
Molecular Formula:   C30H52O4
Standard InCHIKey:  GHWLHGPBZCFOOC-KDBHVGBUSA-N
Standard InCHI:  InChI=1S/C30H52O4/c1-25(2,33)24-13-17-30(7,34-24)20-10-15-28(5)19(20)8-9-22-26(3)14-12-23(32)27(4,18-31)21(26)11-16-29(22,28)6/h19-24,31-33H,8-18H2,1-7H3/t19-,20+,21-,22-,23-,24+,26+,27+,28-,29-,30+/m1/s1
Canonical SMILES:  OC[C@]1(C)[C@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]2[C@]1(C)CC[C@H](O1)C(O)(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
NPO32464 dysoxylum binecteriferum Species Meliaceae Eukaryota Stem barks PMID[24547740]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 50000 nM 22608855
NPT65 Cell Line HepG2 Homo sapiens IC50 = 20200 nM 15165136
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 64900 nM 18809945
NPT83 Cell Line MCF7 Homo sapiens IC50 = 30400 nM 18077425

  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 NPC11907 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 NPC133596
0.9726 High Similarity NPC81074
0.9726 High Similarity NPC477282
0.9722 High Similarity NPC64081
0.9722 High Similarity NPC474574
0.9718 High Similarity NPC270306
0.9718 High Similarity NPC91387
0.9718 High Similarity NPC231680
0.9342 High Similarity NPC475388
0.9028 High Similarity NPC131506
0.9028 High Similarity NPC157777
0.9014 High Similarity NPC107919
0.8974 High Similarity NPC477285
0.8974 High Similarity NPC111582
0.8974 High Similarity NPC470070
0.8961 High Similarity NPC190940
0.8919 High Similarity NPC158208
0.8919 High Similarity NPC317242
0.8919 High Similarity NPC196136
0.8919 High Similarity NPC243027
0.8904 High Similarity NPC153719
0.8875 High Similarity NPC155531
0.8875 High Similarity NPC215968
0.8861 High Similarity NPC320824
0.8846 High Similarity NPC477286
0.8846 High Similarity NPC286719
0.8831 High Similarity NPC16449
0.88 High Similarity NPC470145
0.88 High Similarity NPC163597
0.8784 High Similarity NPC192501
0.8784 High Similarity NPC10476
0.8784 High Similarity NPC228994
0.8767 High Similarity NPC470071
0.8767 High Similarity NPC252182
0.8767 High Similarity NPC187471
0.8767 High Similarity NPC1340
0.8765 High Similarity NPC210658
0.8765 High Similarity NPC161928
0.875 High Similarity NPC66407
0.8684 High Similarity NPC477227
0.8684 High Similarity NPC105208
0.8684 High Similarity NPC185915
0.8684 High Similarity NPC128951
0.8684 High Similarity NPC192046
0.8684 High Similarity NPC302578
0.8667 High Similarity NPC472950
0.8667 High Similarity NPC472952
0.8659 High Similarity NPC128475
0.8649 High Similarity NPC473238
0.8649 High Similarity NPC470610
0.8649 High Similarity NPC472341
0.8642 High Similarity NPC103782
0.8642 High Similarity NPC114378
0.8642 High Similarity NPC80700
0.8642 High Similarity NPC477283
0.863 High Similarity NPC192192
0.8608 High Similarity NPC60018
0.8608 High Similarity NPC202688
0.8608 High Similarity NPC154043
0.8608 High Similarity NPC470611
0.8571 High Similarity NPC67657
0.8571 High Similarity NPC18857
0.8571 High Similarity NPC147993
0.8554 High Similarity NPC228059
0.8554 High Similarity NPC82955
0.8533 High Similarity NPC48795
0.8533 High Similarity NPC304499
0.8519 High Similarity NPC290612
0.8514 High Similarity NPC100586
0.8514 High Similarity NPC157422
0.8514 High Similarity NPC8004
0.8514 High Similarity NPC127094
0.8514 High Similarity NPC109457
0.8514 High Similarity NPC127283
0.8493 Intermediate Similarity NPC254037
0.8493 Intermediate Similarity NPC470833
0.8493 Intermediate Similarity NPC470830
0.8493 Intermediate Similarity NPC241085
0.8493 Intermediate Similarity NPC129829
0.8493 Intermediate Similarity NPC299948
0.8462 Intermediate Similarity NPC287452
0.8442 Intermediate Similarity NPC476233
0.8434 Intermediate Similarity NPC56777
0.8434 Intermediate Similarity NPC473436
0.8434 Intermediate Similarity NPC201607
0.8378 Intermediate Similarity NPC251201
0.8378 Intermediate Similarity NPC232925
0.8378 Intermediate Similarity NPC231945
0.8378 Intermediate Similarity NPC282454
0.8378 Intermediate Similarity NPC63588
0.8353 Intermediate Similarity NPC229801
0.8353 Intermediate Similarity NPC210759
0.8353 Intermediate Similarity NPC473066
0.8353 Intermediate Similarity NPC307167
0.8333 Intermediate Similarity NPC471769
0.8333 Intermediate Similarity NPC20822
0.8313 Intermediate Similarity NPC140446
0.8313 Intermediate Similarity NPC43912
0.8312 Intermediate Similarity NPC477602
0.8312 Intermediate Similarity NPC477601
0.8312 Intermediate Similarity NPC473916
0.8293 Intermediate Similarity NPC273290
0.8293 Intermediate Similarity NPC232044
0.8293 Intermediate Similarity NPC266651
0.8289 Intermediate Similarity NPC470151
0.8272 Intermediate Similarity NPC268578
0.8272 Intermediate Similarity NPC217559
0.8272 Intermediate Similarity NPC292458
0.8267 Intermediate Similarity NPC473279
0.8267 Intermediate Similarity NPC195530
0.8256 Intermediate Similarity NPC311246
0.8256 Intermediate Similarity NPC182740
0.8256 Intermediate Similarity NPC256104
0.8256 Intermediate Similarity NPC211845
0.8256 Intermediate Similarity NPC167644
0.8256 Intermediate Similarity NPC122083
0.8243 Intermediate Similarity NPC477820
0.8235 Intermediate Similarity NPC473542
0.8228 Intermediate Similarity NPC269333
0.8228 Intermediate Similarity NPC245029
0.8228 Intermediate Similarity NPC220379
0.8228 Intermediate Similarity NPC31302
0.8228 Intermediate Similarity NPC477287
0.8219 Intermediate Similarity NPC473230
0.8219 Intermediate Similarity NPC63190
0.8219 Intermediate Similarity NPC48079
0.8219 Intermediate Similarity NPC475884
0.8205 Intermediate Similarity NPC212453
0.8205 Intermediate Similarity NPC171658
0.8194 Intermediate Similarity NPC472946
0.8193 Intermediate Similarity NPC471240
0.8193 Intermediate Similarity NPC474448
0.8171 Intermediate Similarity NPC227260
0.8169 Intermediate Similarity NPC114891
0.8161 Intermediate Similarity NPC45959
0.8161 Intermediate Similarity NPC113500
0.8161 Intermediate Similarity NPC3538
0.8161 Intermediate Similarity NPC305418
0.8161 Intermediate Similarity NPC30687
0.8161 Intermediate Similarity NPC175
0.8161 Intermediate Similarity NPC477224
0.8161 Intermediate Similarity NPC252253
0.8148 Intermediate Similarity NPC296734
0.8148 Intermediate Similarity NPC477284
0.814 Intermediate Similarity NPC5632
0.814 Intermediate Similarity NPC59006
0.814 Intermediate Similarity NPC149966
0.8125 Intermediate Similarity NPC472943
0.8125 Intermediate Similarity NPC472951
0.8118 Intermediate Similarity NPC131466
0.8108 Intermediate Similarity NPC474756
0.8108 Intermediate Similarity NPC472741
0.8101 Intermediate Similarity NPC471045
0.8095 Intermediate Similarity NPC202937
0.8082 Intermediate Similarity NPC142712
0.8068 Intermediate Similarity NPC473064
0.8068 Intermediate Similarity NPC473065
0.8068 Intermediate Similarity NPC473067
0.8052 Intermediate Similarity NPC477508
0.8052 Intermediate Similarity NPC475458
0.8052 Intermediate Similarity NPC472945
0.8052 Intermediate Similarity NPC472944
0.8049 Intermediate Similarity NPC85095
0.8049 Intermediate Similarity NPC211135
0.8049 Intermediate Similarity NPC216420
0.8049 Intermediate Similarity NPC478054
0.8049 Intermediate Similarity NPC132635
0.8046 Intermediate Similarity NPC88962
0.8046 Intermediate Similarity NPC144790
0.8046 Intermediate Similarity NPC149400
0.8028 Intermediate Similarity NPC148174
0.8028 Intermediate Similarity NPC218585
0.8028 Intermediate Similarity NPC71460
0.8025 Intermediate Similarity NPC73515
0.8023 Intermediate Similarity NPC279329
0.8 Intermediate Similarity NPC99264
0.8 Intermediate Similarity NPC476176
0.8 Intermediate Similarity NPC281004
0.7978 Intermediate Similarity NPC116683
0.7978 Intermediate Similarity NPC476510
0.7978 Intermediate Similarity NPC304011
0.7978 Intermediate Similarity NPC238796
0.7978 Intermediate Similarity NPC156377
0.7978 Intermediate Similarity NPC142264
0.7978 Intermediate Similarity NPC237071
0.7978 Intermediate Similarity NPC139271
0.7978 Intermediate Similarity NPC203434
0.7955 Intermediate Similarity NPC475436
0.7955 Intermediate Similarity NPC312678
0.7955 Intermediate Similarity NPC473851
0.7955 Intermediate Similarity NPC253268
0.7955 Intermediate Similarity NPC24960
0.7955 Intermediate Similarity NPC174024
0.7955 Intermediate Similarity NPC179859
0.7955 Intermediate Similarity NPC473774
0.7955 Intermediate Similarity NPC291547
0.7955 Intermediate Similarity NPC131693
0.7952 Intermediate Similarity NPC18953
0.7949 Intermediate Similarity NPC139765
0.7949 Intermediate Similarity NPC131584

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC11907 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
0.9014 High Similarity NPD4267 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD6928 Phase 2
0.7841 Intermediate Similarity NPD8171 Discontinued
0.7662 Intermediate Similarity NPD4787 Phase 1
0.7654 Intermediate Similarity NPD6115 Approved
0.7654 Intermediate Similarity NPD6118 Approved
0.7654 Intermediate Similarity NPD6114 Approved
0.7654 Intermediate Similarity NPD6697 Approved
0.7407 Intermediate Similarity NPD6117 Approved
0.7342 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD371 Approved
0.7317 Intermediate Similarity NPD6116 Phase 1
0.7284 Intermediate Similarity NPD3703 Phase 2
0.7262 Intermediate Similarity NPD7525 Registered
0.716 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.6962 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6962 Remote Similarity NPD5360 Phase 3
0.6889 Remote Similarity NPD7524 Approved
0.679 Remote Similarity NPD4245 Approved
0.679 Remote Similarity NPD4244 Approved
0.679 Remote Similarity NPD4789 Approved
0.6737 Remote Similarity NPD7991 Discontinued
0.6667 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3698 Phase 2
0.6667 Remote Similarity NPD6700 Approved
0.6629 Remote Similarity NPD6695 Phase 3
0.6596 Remote Similarity NPD6703 Approved
0.6596 Remote Similarity NPD6702 Approved
0.6582 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6556 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6552 Remote Similarity NPD7645 Phase 2
0.6548 Remote Similarity NPD1810 Approved
0.6548 Remote Similarity NPD1811 Approved
0.6506 Remote Similarity NPD4758 Discontinued
0.6484 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6471 Remote Similarity NPD3702 Approved
0.6471 Remote Similarity NPD7339 Approved
0.6471 Remote Similarity NPD6942 Approved
0.6437 Remote Similarity NPD3671 Phase 1
0.6437 Remote Similarity NPD5364 Discontinued
0.6422 Remote Similarity NPD7327 Approved
0.6422 Remote Similarity NPD7328 Approved
0.6421 Remote Similarity NPD8035 Phase 2
0.6421 Remote Similarity NPD8034 Phase 2
0.6413 Remote Similarity NPD8308 Discontinued
0.6395 Remote Similarity NPD6933 Approved
0.6386 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7516 Approved
0.6364 Remote Similarity NPD7638 Approved
0.6344 Remote Similarity NPD7750 Discontinued
0.6341 Remote Similarity NPD6705 Phase 1
0.631 Remote Similarity NPD5777 Approved
0.631 Remote Similarity NPD6081 Approved
0.6306 Remote Similarity NPD8294 Approved
0.6306 Remote Similarity NPD8377 Approved
0.63 Remote Similarity NPD7640 Approved
0.63 Remote Similarity NPD7639 Approved
0.6292 Remote Similarity NPD6931 Approved
0.6292 Remote Similarity NPD6930 Phase 2
0.6292 Remote Similarity NPD4748 Discontinued
0.625 Remote Similarity NPD8033 Approved
0.625 Remote Similarity NPD8296 Approved
0.625 Remote Similarity NPD8380 Approved
0.625 Remote Similarity NPD8378 Approved
0.625 Remote Similarity NPD8335 Approved
0.625 Remote Similarity NPD8379 Approved
0.6238 Remote Similarity NPD1700 Approved
0.6238 Remote Similarity NPD4159 Approved
0.6207 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6204 Remote Similarity NPD8133 Approved
0.619 Remote Similarity NPD2254 Approved
0.619 Remote Similarity NPD2686 Approved
0.619 Remote Similarity NPD2687 Approved
0.618 Remote Similarity NPD6929 Approved
0.6176 Remote Similarity NPD7632 Discontinued
0.617 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6163 Remote Similarity NPD6926 Approved
0.6163 Remote Similarity NPD6924 Approved
0.6161 Remote Similarity NPD6054 Approved
0.6161 Remote Similarity NPD6059 Approved
0.6139 Remote Similarity NPD8418 Phase 2
0.6136 Remote Similarity NPD6932 Approved
0.6098 Remote Similarity NPD4224 Phase 2
0.6091 Remote Similarity NPD6940 Discontinued
0.6087 Remote Similarity NPD4788 Approved
0.6082 Remote Similarity NPD7087 Discontinued
0.6056 Remote Similarity NPD384 Approved
0.6056 Remote Similarity NPD385 Approved
0.6053 Remote Similarity NPD6370 Approved
0.6042 Remote Similarity NPD5328 Approved
0.6038 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6038 Remote Similarity NPD8174 Phase 2
0.6038 Remote Similarity NPD7320 Approved
0.6034 Remote Similarity NPD7507 Approved
0.6022 Remote Similarity NPD4786 Approved
0.6 Remote Similarity NPD6675 Approved
0.6 Remote Similarity NPD6683 Phase 2
0.6 Remote Similarity NPD5739 Approved
0.6 Remote Similarity NPD7128 Approved
0.6 Remote Similarity NPD6402 Approved
0.5981 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5965 Remote Similarity NPD6016 Approved
0.5965 Remote Similarity NPD6015 Approved
0.5963 Remote Similarity NPD8297 Approved
0.5957 Remote Similarity NPD6893 Approved
0.5955 Remote Similarity NPD6925 Approved
0.5955 Remote Similarity NPD5776 Phase 2
0.5948 Remote Similarity NPD7492 Approved
0.5943 Remote Similarity NPD6412 Phase 2
0.5941 Remote Similarity NPD7920 Phase 3
0.5941 Remote Similarity NPD4755 Approved
0.5941 Remote Similarity NPD7919 Phase 3
0.5934 Remote Similarity NPD7514 Phase 3
0.5932 Remote Similarity NPD7736 Approved
0.593 Remote Similarity NPD4243 Approved
0.5926 Remote Similarity NPD4634 Approved
0.5918 Remote Similarity NPD6079 Approved
0.5915 Remote Similarity NPD386 Approved
0.5915 Remote Similarity NPD388 Approved
0.5914 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5914 Remote Similarity NPD3669 Approved
0.5913 Remote Similarity NPD5988 Approved
0.5909 Remote Similarity NPD4632 Approved
0.5897 Remote Similarity NPD6616 Approved
0.5895 Remote Similarity NPD3618 Phase 1
0.5893 Remote Similarity NPD7115 Discovery
0.5889 Remote Similarity NPD7145 Approved
0.5888 Remote Similarity NPD6881 Approved
0.5888 Remote Similarity NPD6899 Approved
0.5882 Remote Similarity NPD4225 Approved
0.5882 Remote Similarity NPD7319 Approved
0.5882 Remote Similarity NPD8088 Phase 1
0.5877 Remote Similarity NPD6319 Approved
0.5859 Remote Similarity NPD6399 Phase 3
0.5859 Remote Similarity NPD4202 Approved
0.5849 Remote Similarity NPD6920 Discontinued
0.5847 Remote Similarity NPD8293 Discontinued
0.5847 Remote Similarity NPD7078 Approved
0.5833 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6372 Approved
0.5833 Remote Similarity NPD6373 Approved
0.5826 Remote Similarity NPD7503 Approved
0.5825 Remote Similarity NPD5286 Approved
0.5825 Remote Similarity NPD4696 Approved
0.5825 Remote Similarity NPD5285 Approved
0.5825 Remote Similarity NPD4700 Approved
0.5806 Remote Similarity NPD3667 Approved
0.5795 Remote Similarity NPD4785 Approved
0.5795 Remote Similarity NPD4784 Approved
0.5794 Remote Similarity NPD5697 Approved
0.5794 Remote Similarity NPD5701 Approved
0.5784 Remote Similarity NPD6083 Phase 2
0.5784 Remote Similarity NPD6084 Phase 2
0.578 Remote Similarity NPD6883 Approved
0.578 Remote Similarity NPD7102 Approved
0.578 Remote Similarity NPD7290 Approved
0.5761 Remote Similarity NPD7509 Discontinued
0.5761 Remote Similarity NPD7332 Phase 2
0.5747 Remote Similarity NPD7152 Approved
0.5747 Remote Similarity NPD7150 Approved
0.5747 Remote Similarity NPD7151 Approved
0.5727 Remote Similarity NPD6649 Approved
0.5727 Remote Similarity NPD8130 Phase 1
0.5727 Remote Similarity NPD6869 Approved
0.5727 Remote Similarity NPD6617 Approved
0.5727 Remote Similarity NPD6847 Approved
0.5727 Remote Similarity NPD6650 Approved
0.5714 Remote Similarity NPD4633 Approved
0.5714 Remote Similarity NPD5225 Approved
0.5714 Remote Similarity NPD5224 Approved
0.5714 Remote Similarity NPD4753 Phase 2
0.5714 Remote Similarity NPD5226 Approved
0.5714 Remote Similarity NPD5211 Phase 2
0.5701 Remote Similarity NPD6008 Approved
0.5699 Remote Similarity NPD6898 Phase 1
0.5699 Remote Similarity NPD6902 Approved
0.5698 Remote Similarity NPD6923 Approved
0.5698 Remote Similarity NPD6922 Approved
0.5688 Remote Similarity NPD6014 Approved
0.5688 Remote Similarity NPD6013 Approved
0.5688 Remote Similarity NPD6012 Approved
0.5686 Remote Similarity NPD5221 Approved
0.5686 Remote Similarity NPD5222 Approved
0.5686 Remote Similarity NPD4697 Phase 3
0.5686 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5676 Remote Similarity NPD6882 Approved
0.5667 Remote Similarity NPD6033 Approved
0.566 Remote Similarity NPD5175 Approved
0.566 Remote Similarity NPD5174 Approved
0.5644 Remote Similarity NPD7748 Approved
0.5636 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5632 Remote Similarity NPD7144 Approved
0.5632 Remote Similarity NPD7143 Approved
0.5631 Remote Similarity NPD5173 Approved
0.5619 Remote Similarity NPD5223 Approved
0.5614 Remote Similarity NPD8295 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   76324848
ChEMBL   CHEMBL3109462
ZINC  

Physicochemical Properties

Molecular Weight:  476.39
ALogP:  0.5003
MLogP:  4.32
XLogP:  8.225
# Rotatable Bonds:  13
Polar Surface Area:  69.92
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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