Natural Product: NPC472234

Natural Product ID:  NPC472234
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H48O5
Standard InCHIKey:  ACMCWGMBFMGKAF-ZEFOCKMKSA-N
Standard InCHI:  InChI=1S/C32H48O5/c1-19-16-31(36-25(19)34)17-20(2)32(37-31)15-12-27(6)23-9-8-22-26(4,5)24(35-21(3)33)10-11-29(22)18-30(23,29)14-13-28(27,32)7/h19-20,22-24H,8-18H2,1-7H3/t19-,20-,22+,23-,24-,27+,28+,29-,30-,31+,32-/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1CC[C@]23[C@H](C1(C)C)CC[C@H]1[C@]3(C2)CC[C@]2([C@@]1(C)CC[C@@]12O[C@@]2(C[C@H]1C)OC(=O)[C@@H](C2)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
NPO33399 abies faxoniana Species Pinaceae Eukaryota PMID[25554367]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 10700 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 50000 nM 15217280
NPT65 Cell Line HepG2 Homo sapiens IC50 = 9800 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 7500 nM 19651906

  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 NPC472234 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 NPC472233
0.9425 High Similarity NPC472231
0.9425 High Similarity NPC472232
0.881 High Similarity NPC472229
0.881 High Similarity NPC472230
0.8276 Intermediate Similarity NPC13494
0.8247 Intermediate Similarity NPC244969
0.8247 Intermediate Similarity NPC213528
0.8182 Intermediate Similarity NPC306776
0.8161 Intermediate Similarity NPC58631
0.8081 Intermediate Similarity NPC100078
0.8 Intermediate Similarity NPC166079
0.7979 Intermediate Similarity NPC472237
0.7979 Intermediate Similarity NPC472238
0.7935 Intermediate Similarity NPC33398
0.7931 Intermediate Similarity NPC73013
0.79 Intermediate Similarity NPC472227
0.79 Intermediate Similarity NPC472228
0.7889 Intermediate Similarity NPC319909
0.7865 Intermediate Similarity NPC24556
0.7857 Intermediate Similarity NPC109510
0.7841 Intermediate Similarity NPC261616
0.7791 Intermediate Similarity NPC471046
0.7789 Intermediate Similarity NPC256104
0.7789 Intermediate Similarity NPC182740
0.7789 Intermediate Similarity NPC211845
0.7789 Intermediate Similarity NPC122083
0.7789 Intermediate Similarity NPC161035
0.7789 Intermediate Similarity NPC35164
0.7766 Intermediate Similarity NPC77756
0.7765 Intermediate Similarity NPC272359
0.7753 Intermediate Similarity NPC12933
0.7742 Intermediate Similarity NPC221993
0.7738 Intermediate Similarity NPC197701
0.7732 Intermediate Similarity NPC116683
0.7732 Intermediate Similarity NPC156377
0.7732 Intermediate Similarity NPC145553
0.7732 Intermediate Similarity NPC476728
0.7727 Intermediate Similarity NPC477287
0.7727 Intermediate Similarity NPC474754
0.7708 Intermediate Similarity NPC477495
0.7701 Intermediate Similarity NPC207010
0.7701 Intermediate Similarity NPC471151
0.7701 Intermediate Similarity NPC317913
0.7701 Intermediate Similarity NPC474404
0.7684 Intermediate Similarity NPC52756
0.7684 Intermediate Similarity NPC475878
0.7684 Intermediate Similarity NPC474065
0.764 Intermediate Similarity NPC134227
0.7629 Intermediate Similarity NPC305808
0.7629 Intermediate Similarity NPC21897
0.7629 Intermediate Similarity NPC470031
0.7604 Intermediate Similarity NPC228700
0.7586 Intermediate Similarity NPC4209
0.7576 Intermediate Similarity NPC292775
0.7558 Intermediate Similarity NPC55508
0.7556 Intermediate Similarity NPC474870
0.7556 Intermediate Similarity NPC469745
0.7556 Intermediate Similarity NPC271572
0.7528 Intermediate Similarity NPC476176
0.7528 Intermediate Similarity NPC80891
0.7528 Intermediate Similarity NPC201276
0.7527 Intermediate Similarity NPC472272
0.7526 Intermediate Similarity NPC472224
0.7526 Intermediate Similarity NPC472223
0.7526 Intermediate Similarity NPC470424
0.75 Intermediate Similarity NPC470030
0.75 Intermediate Similarity NPC473066
0.75 Intermediate Similarity NPC474996
0.75 Intermediate Similarity NPC475031
0.75 Intermediate Similarity NPC41843
0.75 Intermediate Similarity NPC65133
0.7477 Intermediate Similarity NPC97002
0.7475 Intermediate Similarity NPC266417
0.7473 Intermediate Similarity NPC477286
0.7473 Intermediate Similarity NPC61107
0.7473 Intermediate Similarity NPC477284
0.7473 Intermediate Similarity NPC289486
0.7473 Intermediate Similarity NPC286719
0.7471 Intermediate Similarity NPC72444
0.7471 Intermediate Similarity NPC212733
0.7453 Intermediate Similarity NPC473062
0.7447 Intermediate Similarity NPC210658
0.7447 Intermediate Similarity NPC161928
0.7447 Intermediate Similarity NPC252714
0.7444 Intermediate Similarity NPC125366
0.7444 Intermediate Similarity NPC472853
0.7442 Intermediate Similarity NPC474123
0.7429 Intermediate Similarity NPC227879
0.7429 Intermediate Similarity NPC208333
0.7426 Intermediate Similarity NPC178853
0.7426 Intermediate Similarity NPC476512
0.7426 Intermediate Similarity NPC108227
0.7426 Intermediate Similarity NPC472081
0.7423 Intermediate Similarity NPC472226
0.7423 Intermediate Similarity NPC472225
0.7423 Intermediate Similarity NPC476189
0.7419 Intermediate Similarity NPC98270
0.7416 Intermediate Similarity NPC224802
0.7416 Intermediate Similarity NPC476732
0.7416 Intermediate Similarity NPC171426
0.7416 Intermediate Similarity NPC471045
0.7416 Intermediate Similarity NPC80089
0.7416 Intermediate Similarity NPC199965
0.7416 Intermediate Similarity NPC324700
0.7416 Intermediate Similarity NPC34046
0.7407 Intermediate Similarity NPC79193
0.7396 Intermediate Similarity NPC470114
0.7391 Intermediate Similarity NPC477285
0.7391 Intermediate Similarity NPC259173
0.7391 Intermediate Similarity NPC111582
0.7374 Intermediate Similarity NPC475765
0.7374 Intermediate Similarity NPC475785
0.7368 Intermediate Similarity NPC128475
0.7363 Intermediate Similarity NPC190940
0.7363 Intermediate Similarity NPC48756
0.7363 Intermediate Similarity NPC280781
0.7356 Intermediate Similarity NPC167702
0.7356 Intermediate Similarity NPC280026
0.7353 Intermediate Similarity NPC470029
0.7353 Intermediate Similarity NPC134967
0.7353 Intermediate Similarity NPC310138
0.7353 Intermediate Similarity NPC114700
0.7349 Intermediate Similarity NPC84562
0.7347 Intermediate Similarity NPC470423
0.7347 Intermediate Similarity NPC206878
0.734 Intermediate Similarity NPC92139
0.734 Intermediate Similarity NPC474008
0.734 Intermediate Similarity NPC474448
0.7339 Intermediate Similarity NPC475490
0.7333 Intermediate Similarity NPC320144
0.7333 Intermediate Similarity NPC472079
0.7327 Intermediate Similarity NPC108371
0.7326 Intermediate Similarity NPC469940
0.732 Intermediate Similarity NPC160506
0.7312 Intermediate Similarity NPC473336
0.7312 Intermediate Similarity NPC475509
0.7312 Intermediate Similarity NPC51135
0.7312 Intermediate Similarity NPC82492
0.7312 Intermediate Similarity NPC471044
0.7312 Intermediate Similarity NPC25802
0.7312 Intermediate Similarity NPC101138
0.7312 Intermediate Similarity NPC473299
0.7303 Intermediate Similarity NPC298168
0.7303 Intermediate Similarity NPC180199
0.7303 Intermediate Similarity NPC307865
0.7303 Intermediate Similarity NPC212453
0.7303 Intermediate Similarity NPC143133
0.7303 Intermediate Similarity NPC477919
0.73 Intermediate Similarity NPC471241
0.73 Intermediate Similarity NPC469810
0.729 Intermediate Similarity NPC470311
0.7283 Intermediate Similarity NPC242771
0.7283 Intermediate Similarity NPC100366
0.7283 Intermediate Similarity NPC164289
0.7283 Intermediate Similarity NPC311642
0.7283 Intermediate Similarity NPC477935
0.7283 Intermediate Similarity NPC470611
0.7283 Intermediate Similarity NPC296734
0.7283 Intermediate Similarity NPC477936
0.7283 Intermediate Similarity NPC121121
0.7282 Intermediate Similarity NPC139181
0.7282 Intermediate Similarity NPC97260
0.7282 Intermediate Similarity NPC476837
0.7273 Intermediate Similarity NPC478105
0.7273 Intermediate Similarity NPC215570
0.7273 Intermediate Similarity NPC273366
0.7255 Intermediate Similarity NPC477172
0.7253 Intermediate Similarity NPC1882
0.7253 Intermediate Similarity NPC170038
0.7253 Intermediate Similarity NPC471216
0.7253 Intermediate Similarity NPC471217
0.7253 Intermediate Similarity NPC475456
0.7253 Intermediate Similarity NPC477851
0.7241 Intermediate Similarity NPC474755
0.7228 Intermediate Similarity NPC473155
0.7228 Intermediate Similarity NPC472144
0.7222 Intermediate Similarity NPC478128
0.7222 Intermediate Similarity NPC31031
0.7222 Intermediate Similarity NPC329117
0.7222 Intermediate Similarity NPC185465
0.7222 Intermediate Similarity NPC243594
0.7222 Intermediate Similarity NPC477489
0.7212 Intermediate Similarity NPC88469
0.7212 Intermediate Similarity NPC327093
0.7204 Intermediate Similarity NPC327451
0.7204 Intermediate Similarity NPC15821
0.72 Intermediate Similarity NPC193785
0.7188 Intermediate Similarity NPC56777
0.7188 Intermediate Similarity NPC4309
0.7188 Intermediate Similarity NPC201607
0.7188 Intermediate Similarity NPC471221
0.7174 Intermediate Similarity NPC71541
0.7174 Intermediate Similarity NPC77311
0.7174 Intermediate Similarity NPC73515
0.7172 Intermediate Similarity NPC175
0.7172 Intermediate Similarity NPC151214
0.7172 Intermediate Similarity NPC191915
0.7158 Intermediate Similarity NPC80700
0.7158 Intermediate Similarity NPC477283

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472234 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
0.7738 Intermediate Similarity NPD5777 Approved
0.7701 Intermediate Similarity NPD6116 Phase 1
0.7586 Intermediate Similarity NPD6117 Approved
0.7416 Intermediate Similarity NPD6115 Approved
0.7416 Intermediate Similarity NPD6118 Approved
0.7416 Intermediate Similarity NPD6114 Approved
0.7416 Intermediate Similarity NPD6697 Approved
0.7356 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD8035 Phase 2
0.732 Intermediate Similarity NPD8034 Phase 2
0.7273 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3702 Approved
0.7065 Intermediate Similarity NPD6928 Phase 2
0.7048 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.6981 Remote Similarity NPD6008 Approved
0.6932 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6932 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1700 Approved
0.6832 Remote Similarity NPD6001 Approved
0.6818 Remote Similarity NPD4244 Approved
0.6818 Remote Similarity NPD4245 Approved
0.6782 Remote Similarity NPD5360 Phase 3
0.6782 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6081 Approved
0.6705 Remote Similarity NPD3698 Phase 2
0.6705 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6705 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6701 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6607 Remote Similarity NPD6882 Approved
0.6591 Remote Similarity NPD229 Approved
0.6569 Remote Similarity NPD6399 Phase 3
0.6569 Remote Similarity NPD8171 Discontinued
0.6552 Remote Similarity NPD4224 Phase 2
0.6545 Remote Similarity NPD7320 Approved
0.6522 Remote Similarity NPD3703 Phase 2
0.6514 Remote Similarity NPD6675 Approved
0.6514 Remote Similarity NPD6402 Approved
0.6514 Remote Similarity NPD7128 Approved
0.6514 Remote Similarity NPD5739 Approved
0.6505 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6505 Remote Similarity NPD7900 Approved
0.65 Remote Similarity NPD7513 Clinical (unspecified phase)
0.65 Remote Similarity NPD6903 Approved
0.6486 Remote Similarity NPD6373 Approved
0.6486 Remote Similarity NPD6372 Approved
0.6465 Remote Similarity NPD6684 Approved
0.6465 Remote Similarity NPD7146 Approved
0.6465 Remote Similarity NPD5330 Approved
0.6465 Remote Similarity NPD7521 Approved
0.6465 Remote Similarity NPD7334 Approved
0.6465 Remote Similarity NPD6409 Approved
0.6458 Remote Similarity NPD1779 Approved
0.6458 Remote Similarity NPD1780 Approved
0.6444 Remote Similarity NPD4789 Approved
0.6442 Remote Similarity NPD7991 Discontinued
0.6404 Remote Similarity NPD8133 Approved
0.6396 Remote Similarity NPD6881 Approved
0.6396 Remote Similarity NPD6899 Approved
0.6393 Remote Similarity NPD7736 Approved
0.6374 Remote Similarity NPD4758 Discontinued
0.6372 Remote Similarity NPD6650 Approved
0.6372 Remote Similarity NPD6649 Approved
0.6372 Remote Similarity NPD8130 Phase 1
0.6333 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6321 Remote Similarity NPD7902 Approved
0.6316 Remote Similarity NPD5364 Discontinued
0.6316 Remote Similarity NPD8297 Approved
0.6311 Remote Similarity NPD7078 Approved
0.6311 Remote Similarity NPD8293 Discontinued
0.6306 Remote Similarity NPD5701 Approved
0.6306 Remote Similarity NPD5697 Approved
0.63 Remote Similarity NPD6098 Approved
0.6283 Remote Similarity NPD6883 Approved
0.6283 Remote Similarity NPD7290 Approved
0.6283 Remote Similarity NPD7102 Approved
0.6281 Remote Similarity NPD7492 Approved
0.6275 Remote Similarity NPD6080 Approved
0.6275 Remote Similarity NPD6904 Approved
0.6275 Remote Similarity NPD6673 Approved
0.6264 Remote Similarity NPD4787 Phase 1
0.625 Remote Similarity NPD6011 Approved
0.625 Remote Similarity NPD9496 Clinical (unspecified phase)
0.625 Remote Similarity NPD3171 Clinical (unspecified phase)
0.623 Remote Similarity NPD7507 Approved
0.623 Remote Similarity NPD6616 Approved
0.6228 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6228 Remote Similarity NPD6617 Approved
0.6228 Remote Similarity NPD6869 Approved
0.6228 Remote Similarity NPD6847 Approved
0.6218 Remote Similarity NPD6059 Approved
0.6218 Remote Similarity NPD6054 Approved
0.6214 Remote Similarity NPD5207 Approved
0.6204 Remote Similarity NPD8418 Phase 2
0.6195 Remote Similarity NPD6014 Approved
0.6195 Remote Similarity NPD6013 Approved
0.6195 Remote Similarity NPD6012 Approved
0.619 Remote Similarity NPD7748 Approved
0.6176 Remote Similarity NPD6672 Approved
0.6176 Remote Similarity NPD5737 Approved
0.6168 Remote Similarity NPD6084 Phase 2
0.6168 Remote Similarity NPD6083 Phase 2
0.6162 Remote Similarity NPD4788 Approved
0.6146 Remote Similarity NPD4238 Approved
0.6146 Remote Similarity NPD3671 Phase 1
0.6146 Remote Similarity NPD4802 Phase 2
0.6116 Remote Similarity NPD6370 Approved
0.6111 Remote Similarity NPD5696 Approved
0.6111 Remote Similarity NPD7638 Approved
0.6102 Remote Similarity NPD6009 Approved
0.6095 Remote Similarity NPD4202 Approved
0.608 Remote Similarity NPD7319 Approved
0.6055 Remote Similarity NPD7639 Approved
0.6055 Remote Similarity NPD7640 Approved
0.6053 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6052 Approved
0.6033 Remote Similarity NPD6016 Approved
0.6033 Remote Similarity NPD6015 Approved
0.6033 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6019 Remote Similarity NPD4755 Approved
0.6019 Remote Similarity NPD5208 Approved
0.6017 Remote Similarity NPD6940 Discontinued
0.6 Remote Similarity NPD3669 Approved
0.6 Remote Similarity NPD6050 Approved
0.6 Remote Similarity NPD5693 Phase 1
0.6 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5984 Remote Similarity NPD5988 Approved
0.5982 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5982 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5981 Remote Similarity NPD5695 Phase 3
0.5962 Remote Similarity NPD6051 Approved
0.595 Remote Similarity NPD8294 Approved
0.595 Remote Similarity NPD8377 Approved
0.5946 Remote Similarity NPD7632 Discontinued
0.5935 Remote Similarity NPD7604 Phase 2
0.5917 Remote Similarity NPD7328 Approved
0.5917 Remote Similarity NPD7327 Approved
0.5917 Remote Similarity NPD6335 Approved
0.5909 Remote Similarity NPD5285 Approved
0.5909 Remote Similarity NPD5286 Approved
0.5909 Remote Similarity NPD4696 Approved
0.5909 Remote Similarity NPD4700 Approved
0.5905 Remote Similarity NPD5692 Phase 3
0.5902 Remote Similarity NPD8033 Approved
0.5902 Remote Similarity NPD8380 Approved
0.5902 Remote Similarity NPD8379 Approved
0.5902 Remote Similarity NPD8378 Approved
0.5902 Remote Similarity NPD8296 Approved
0.5902 Remote Similarity NPD8335 Approved
0.5882 Remote Similarity NPD6274 Approved
0.5877 Remote Similarity NPD6412 Phase 2
0.5877 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5873 Remote Similarity NPD6033 Approved
0.5872 Remote Similarity NPD5959 Approved
0.5868 Remote Similarity NPD7101 Approved
0.5868 Remote Similarity NPD7100 Approved
0.5868 Remote Similarity NPD7516 Approved
0.5862 Remote Similarity NPD3198 Approved
0.5859 Remote Similarity NPD7525 Registered
0.5856 Remote Similarity NPD5223 Approved
0.5849 Remote Similarity NPD5281 Approved
0.5849 Remote Similarity NPD7515 Phase 2
0.5849 Remote Similarity NPD5284 Approved
0.5849 Remote Similarity NPD5694 Approved
0.5847 Remote Similarity NPD4632 Approved
0.5833 Remote Similarity NPD6317 Approved
0.5833 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5833 Remote Similarity NPD7115 Discovery
0.5825 Remote Similarity NPD3618 Phase 1
0.581 Remote Similarity NPD5328 Approved
0.5806 Remote Similarity NPD6067 Discontinued
0.5804 Remote Similarity NPD5211 Phase 2
0.5804 Remote Similarity NPD5225 Approved
0.5804 Remote Similarity NPD5224 Approved
0.5804 Remote Similarity NPD5226 Approved
0.5804 Remote Similarity NPD4633 Approved
0.5789 Remote Similarity NPD8040 Discontinued
0.5785 Remote Similarity NPD6314 Approved
0.5785 Remote Similarity NPD6313 Approved
0.5784 Remote Similarity NPD4786 Approved
0.5772 Remote Similarity NPD6908 Approved
0.5772 Remote Similarity NPD6909 Approved
0.5752 Remote Similarity NPD5175 Approved
0.5752 Remote Similarity NPD4754 Approved
0.5752 Remote Similarity NPD5174 Approved
0.5726 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5702 Remote Similarity NPD5141 Approved
0.5701 Remote Similarity NPD6079 Approved
0.5691 Remote Similarity NPD6319 Approved
0.569 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5688 Remote Similarity NPD5654 Approved
0.5673 Remote Similarity NPD3574 Clinical (unspecified phase)
0.566 Remote Similarity NPD4753 Phase 2
0.5652 Remote Similarity NPD4767 Approved
0.5652 Remote Similarity NPD4768 Approved
0.5652 Remote Similarity NPD6920 Discontinued
0.5645 Remote Similarity NPD5983 Phase 2
0.5641 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5636 Remote Similarity NPD4697 Phase 3
0.5631 Remote Similarity NPD3666 Approved
0.5631 Remote Similarity NPD3665 Phase 1

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3353851
ZINC  

Physicochemical Properties

Molecular Weight:  512.35
ALogP:  1.9395
MLogP:  4.43
XLogP:  8.428
# Rotatable Bonds:  9
Polar Surface Area:  61.83
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  7
# Heavy Atoms:  37

Download Data

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