Natural Product: NPC472238

Natural Product ID:  NPC472238
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O6
Standard InCHIKey:  AFAQACTXQLSZEJ-UEBGPECHSA-N
Standard InCHI:  InChI=1S/C30H44O6/c1-17-15-28(35-22(17)33)16-18(2)30(36-28)13-10-26(6)23(34)29(12-11-27(26,30)7)21(32)14-19-24(3,4)20(31)8-9-25(19,29)5/h17-19,21,32H,8-16H2,1-7H3/t17-,18-,19+,21+,25+,26+,27+,28+,29-,30-/m1/s1
Canonical SMILES:  C[C@@H]1C[C@@]2(OC1=O)C[C@H]([C@]1(O2)CC[C@@]2([C@]1(C)CC[C@]1(C2=O)[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(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
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 = 10100 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens IC50 = 15400 nM 20479200
NPT2 Others Unspecified IC50 = 12300 nM 9917283
NPT2 Others Unspecified IC50 = 8200 nM DrugMatrix in vivo data: Pathology

  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 NPC472238 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 NPC472237
0.8667 High Similarity NPC33398
0.8495 Intermediate Similarity NPC472231
0.8495 Intermediate Similarity NPC472232
0.8367 Intermediate Similarity NPC244969
0.8367 Intermediate Similarity NPC213528
0.8295 Intermediate Similarity NPC472229
0.8295 Intermediate Similarity NPC472230
0.82 Intermediate Similarity NPC100078
0.8119 Intermediate Similarity NPC306776
0.8119 Intermediate Similarity NPC166079
0.8111 Intermediate Similarity NPC472847
0.8105 Intermediate Similarity NPC161035
0.8021 Intermediate Similarity NPC470424
0.8021 Intermediate Similarity NPC206878
0.8 Intermediate Similarity NPC474065
0.7979 Intermediate Similarity NPC472234
0.7979 Intermediate Similarity NPC472233
0.7979 Intermediate Similarity NPC200580
0.7917 Intermediate Similarity NPC476189
0.7912 Intermediate Similarity NPC157328
0.79 Intermediate Similarity NPC178853
0.7857 Intermediate Similarity NPC476728
0.7857 Intermediate Similarity NPC193785
0.7843 Intermediate Similarity NPC88469
0.7802 Intermediate Similarity NPC477935
0.7778 Intermediate Similarity NPC475490
0.7755 Intermediate Similarity NPC305808
0.7692 Intermediate Similarity NPC58631
0.7685 Intermediate Similarity NPC79193
0.7677 Intermediate Similarity NPC116683
0.767 Intermediate Similarity NPC473526
0.767 Intermediate Similarity NPC472227
0.767 Intermediate Similarity NPC473701
0.767 Intermediate Similarity NPC472228
0.7667 Intermediate Similarity NPC472310
0.766 Intermediate Similarity NPC92139
0.7653 Intermediate Similarity NPC470423
0.7647 Intermediate Similarity NPC470172
0.764 Intermediate Similarity NPC477918
0.7634 Intermediate Similarity NPC25802
0.7634 Intermediate Similarity NPC101138
0.7634 Intermediate Similarity NPC51135
0.7634 Intermediate Similarity NPC477434
0.7634 Intermediate Similarity NPC82492
0.7629 Intermediate Similarity NPC475878
0.7609 Intermediate Similarity NPC100366
0.7609 Intermediate Similarity NPC242771
0.7609 Intermediate Similarity NPC164289
0.7609 Intermediate Similarity NPC311642
0.7609 Intermediate Similarity NPC477936
0.7604 Intermediate Similarity NPC61688
0.7582 Intermediate Similarity NPC1882
0.7582 Intermediate Similarity NPC472853
0.7573 Intermediate Similarity NPC471253
0.7573 Intermediate Similarity NPC473406
0.7556 Intermediate Similarity NPC185465
0.7556 Intermediate Similarity NPC476732
0.7556 Intermediate Similarity NPC199965
0.7553 Intermediate Similarity NPC473350
0.7528 Intermediate Similarity NPC477932
0.7528 Intermediate Similarity NPC477933
0.7527 Intermediate Similarity NPC217559
0.7527 Intermediate Similarity NPC268578
0.7527 Intermediate Similarity NPC292458
0.7524 Intermediate Similarity NPC176756
0.7523 Intermediate Similarity NPC470116
0.7523 Intermediate Similarity NPC470115
0.75 Intermediate Similarity NPC477614
0.75 Intermediate Similarity NPC226491
0.75 Intermediate Similarity NPC471221
0.7477 Intermediate Similarity NPC98633
0.7474 Intermediate Similarity NPC472272
0.7473 Intermediate Similarity NPC474754
0.7473 Intermediate Similarity NPC320144
0.7453 Intermediate Similarity NPC167044
0.7449 Intermediate Similarity NPC150383
0.7449 Intermediate Similarity NPC52756
0.7447 Intermediate Similarity NPC471044
0.7447 Intermediate Similarity NPC473336
0.7444 Intermediate Similarity NPC477919
0.7444 Intermediate Similarity NPC169389
0.7444 Intermediate Similarity NPC474404
0.7444 Intermediate Similarity NPC180199
0.7431 Intermediate Similarity NPC285086
0.7423 Intermediate Similarity NPC471459
0.7423 Intermediate Similarity NPC477440
0.7423 Intermediate Similarity NPC477443
0.7423 Intermediate Similarity NPC67653
0.7419 Intermediate Similarity NPC13494
0.7419 Intermediate Similarity NPC317066
0.7419 Intermediate Similarity NPC102156
0.7419 Intermediate Similarity NPC61107
0.7419 Intermediate Similarity NPC148740
0.7419 Intermediate Similarity NPC24556
0.7419 Intermediate Similarity NPC289486
0.7416 Intermediate Similarity NPC179922
0.7416 Intermediate Similarity NPC477934
0.7416 Intermediate Similarity NPC132064
0.7407 Intermediate Similarity NPC473062
0.74 Intermediate Similarity NPC215570
0.74 Intermediate Similarity NPC62407
0.74 Intermediate Similarity NPC21897
0.74 Intermediate Similarity NPC287354
0.7396 Intermediate Similarity NPC239938
0.7383 Intermediate Similarity NPC217041
0.7379 Intermediate Similarity NPC478181
0.7374 Intermediate Similarity NPC256104
0.7374 Intermediate Similarity NPC182740
0.7374 Intermediate Similarity NPC211845
0.7374 Intermediate Similarity NPC122083
0.7374 Intermediate Similarity NPC228700
0.7353 Intermediate Similarity NPC253995
0.7347 Intermediate Similarity NPC477442
0.7347 Intermediate Similarity NPC477444
0.7347 Intermediate Similarity NPC477433
0.7347 Intermediate Similarity NPC77756
0.734 Intermediate Similarity NPC327451
0.734 Intermediate Similarity NPC259173
0.7333 Intermediate Similarity NPC114365
0.7333 Intermediate Similarity NPC18044
0.7333 Intermediate Similarity NPC154962
0.7333 Intermediate Similarity NPC470167
0.7333 Intermediate Similarity NPC327093
0.7333 Intermediate Similarity NPC177518
0.7333 Intermediate Similarity NPC123070
0.7333 Intermediate Similarity NPC169089
0.7333 Intermediate Similarity NPC132304
0.7333 Intermediate Similarity NPC88890
0.7333 Intermediate Similarity NPC18433
0.7333 Intermediate Similarity NPC471046
0.7327 Intermediate Similarity NPC475785
0.7327 Intermediate Similarity NPC475765
0.732 Intermediate Similarity NPC221993
0.732 Intermediate Similarity NPC211162
0.732 Intermediate Similarity NPC183374
0.7315 Intermediate Similarity NPC49730
0.7315 Intermediate Similarity NPC98069
0.7315 Intermediate Similarity NPC182185
0.7308 Intermediate Similarity NPC471254
0.7303 Intermediate Similarity NPC477930
0.73 Intermediate Similarity NPC472223
0.73 Intermediate Similarity NPC472224
0.7292 Intermediate Similarity NPC474448
0.7292 Intermediate Similarity NPC80700
0.7282 Intermediate Similarity NPC108371
0.7273 Intermediate Similarity NPC469940
0.7273 Intermediate Similarity NPC97002
0.7273 Intermediate Similarity NPC197701
0.7264 Intermediate Similarity NPC103172
0.7264 Intermediate Similarity NPC164600
0.7264 Intermediate Similarity NPC215408
0.7264 Intermediate Similarity NPC168890
0.7263 Intermediate Similarity NPC291310
0.7263 Intermediate Similarity NPC50438
0.7263 Intermediate Similarity NPC319909
0.7255 Intermediate Similarity NPC470632
0.7255 Intermediate Similarity NPC328180
0.7255 Intermediate Similarity NPC471241
0.7255 Intermediate Similarity NPC74466
0.7255 Intermediate Similarity NPC278028
0.7253 Intermediate Similarity NPC207010
0.7253 Intermediate Similarity NPC471151
0.7253 Intermediate Similarity NPC317913
0.7253 Intermediate Similarity NPC307865
0.7248 Intermediate Similarity NPC469824
0.7248 Intermediate Similarity NPC471251
0.7245 Intermediate Similarity NPC24772
0.7245 Intermediate Similarity NPC116146
0.7238 Intermediate Similarity NPC140723
0.7238 Intermediate Similarity NPC107385
0.7232 Intermediate Similarity NPC179429
0.7228 Intermediate Similarity NPC470031
0.7222 Intermediate Similarity NPC155441
0.7222 Intermediate Similarity NPC472311
0.7222 Intermediate Similarity NPC125767
0.7222 Intermediate Similarity NPC35871
0.7222 Intermediate Similarity NPC179858
0.7222 Intermediate Similarity NPC21220
0.7222 Intermediate Similarity NPC471250
0.7222 Intermediate Similarity NPC68565
0.7216 Intermediate Similarity NPC252714
0.7216 Intermediate Similarity NPC134197
0.7212 Intermediate Similarity NPC39683
0.7204 Intermediate Similarity NPC134227
0.72 Intermediate Similarity NPC472226
0.72 Intermediate Similarity NPC472225
0.7196 Intermediate Similarity NPC290247
0.7196 Intermediate Similarity NPC469788
0.7196 Intermediate Similarity NPC469787
0.7191 Intermediate Similarity NPC310766
0.7191 Intermediate Similarity NPC248567
0.7191 Intermediate Similarity NPC474755
0.7184 Intermediate Similarity NPC292775
0.7184 Intermediate Similarity NPC472144
0.7184 Intermediate Similarity NPC211087
0.7182 Intermediate Similarity NPC98870
0.7174 Intermediate Similarity NPC471045
0.7159 Intermediate Similarity NPC477929
0.7156 Intermediate Similarity NPC106760

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472238 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
0.7614 Intermediate Similarity NPD3702 Approved
0.7333 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5777 Approved
0.7253 Intermediate Similarity NPD6116 Phase 1
0.7212 Intermediate Similarity NPD1700 Approved
0.717 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD4245 Approved
0.7159 Intermediate Similarity NPD4244 Approved
0.7143 Intermediate Similarity NPD6117 Approved
0.7111 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD3698 Phase 2
0.6989 Remote Similarity NPD4802 Phase 2
0.6989 Remote Similarity NPD6115 Approved
0.6989 Remote Similarity NPD4238 Approved
0.6989 Remote Similarity NPD6697 Approved
0.6989 Remote Similarity NPD6118 Approved
0.6989 Remote Similarity NPD6114 Approved
0.6977 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7078 Approved
0.6972 Remote Similarity NPD7320 Approved
0.6889 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6889 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6889 Remote Similarity NPD6081 Approved
0.6875 Remote Similarity NPD6882 Approved
0.6842 Remote Similarity NPD6928 Phase 2
0.6807 Remote Similarity NPD7492 Approved
0.6789 Remote Similarity NPD5739 Approved
0.6789 Remote Similarity NPD6675 Approved
0.6789 Remote Similarity NPD7128 Approved
0.6789 Remote Similarity NPD6402 Approved
0.6778 Remote Similarity NPD4789 Approved
0.6757 Remote Similarity NPD6372 Approved
0.6757 Remote Similarity NPD6373 Approved
0.6752 Remote Similarity NPD6059 Approved
0.6752 Remote Similarity NPD6054 Approved
0.675 Remote Similarity NPD6616 Approved
0.6705 Remote Similarity NPD4224 Phase 2
0.6699 Remote Similarity NPD6399 Phase 3
0.6694 Remote Similarity NPD8293 Discontinued
0.6667 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD3703 Phase 2
0.6639 Remote Similarity NPD6370 Approved
0.6639 Remote Similarity NPD7736 Approved
0.6637 Remote Similarity NPD6649 Approved
0.6637 Remote Similarity NPD6650 Approved
0.6604 Remote Similarity NPD6084 Phase 2
0.6604 Remote Similarity NPD6083 Phase 2
0.6602 Remote Similarity NPD8034 Phase 2
0.6602 Remote Similarity NPD8035 Phase 2
0.6577 Remote Similarity NPD5697 Approved
0.6577 Remote Similarity NPD5701 Approved
0.6556 Remote Similarity NPD5360 Phase 3
0.6556 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6016 Approved
0.6555 Remote Similarity NPD6015 Approved
0.6549 Remote Similarity NPD6883 Approved
0.6549 Remote Similarity NPD7102 Approved
0.6549 Remote Similarity NPD7290 Approved
0.6518 Remote Similarity NPD6011 Approved
0.65 Remote Similarity NPD5988 Approved
0.6491 Remote Similarity NPD8130 Phase 1
0.6491 Remote Similarity NPD6617 Approved
0.6491 Remote Similarity NPD6847 Approved
0.6491 Remote Similarity NPD6869 Approved
0.6491 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6486 Remote Similarity NPD6008 Approved
0.6471 Remote Similarity NPD6903 Approved
0.6465 Remote Similarity NPD4788 Approved
0.646 Remote Similarity NPD6013 Approved
0.646 Remote Similarity NPD6014 Approved
0.646 Remote Similarity NPD6012 Approved
0.6435 Remote Similarity NPD8297 Approved
0.6415 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6395 Remote Similarity NPD3198 Approved
0.6389 Remote Similarity NPD5696 Approved
0.6374 Remote Similarity NPD229 Approved
0.6371 Remote Similarity NPD6033 Approved
0.6356 Remote Similarity NPD6009 Approved
0.6337 Remote Similarity NPD7520 Clinical (unspecified phase)
0.632 Remote Similarity NPD7319 Approved
0.6296 Remote Similarity NPD4755 Approved
0.6283 Remote Similarity NPD6412 Phase 2
0.6281 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6275 Remote Similarity NPD6409 Approved
0.6275 Remote Similarity NPD5330 Approved
0.6275 Remote Similarity NPD7146 Approved
0.6275 Remote Similarity NPD7521 Approved
0.6275 Remote Similarity NPD6684 Approved
0.6275 Remote Similarity NPD7334 Approved
0.6263 Remote Similarity NPD5369 Approved
0.6262 Remote Similarity NPD5695 Phase 3
0.6228 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6226 Remote Similarity NPD8171 Discontinued
0.621 Remote Similarity NPD7507 Approved
0.62 Remote Similarity NPD6435 Approved
0.6198 Remote Similarity NPD6319 Approved
0.6182 Remote Similarity NPD5286 Approved
0.6182 Remote Similarity NPD5285 Approved
0.6182 Remote Similarity NPD4700 Approved
0.6182 Remote Similarity NPD4696 Approved
0.617 Remote Similarity NPD4758 Discontinued
0.6167 Remote Similarity NPD6335 Approved
0.6154 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6134 Remote Similarity NPD6274 Approved
0.6132 Remote Similarity NPD5284 Approved
0.6132 Remote Similarity NPD5281 Approved
0.6126 Remote Similarity NPD5223 Approved
0.6122 Remote Similarity NPD3671 Phase 1
0.6122 Remote Similarity NPD5364 Discontinued
0.6117 Remote Similarity NPD6098 Approved
0.6117 Remote Similarity NPD5786 Approved
0.6116 Remote Similarity NPD7100 Approved
0.6116 Remote Similarity NPD7101 Approved
0.6102 Remote Similarity NPD8133 Approved
0.6102 Remote Similarity NPD4632 Approved
0.6095 Remote Similarity NPD5328 Approved
0.6095 Remote Similarity NPD6904 Approved
0.6095 Remote Similarity NPD6080 Approved
0.6095 Remote Similarity NPD6673 Approved
0.6095 Remote Similarity NPD4753 Phase 2
0.6083 Remote Similarity NPD6317 Approved
0.6078 Remote Similarity NPD3133 Approved
0.6078 Remote Similarity NPD4786 Approved
0.6078 Remote Similarity NPD3665 Phase 1
0.6078 Remote Similarity NPD3666 Approved
0.6075 Remote Similarity NPD4202 Approved
0.6071 Remote Similarity NPD5211 Phase 2
0.6071 Remote Similarity NPD4633 Approved
0.6071 Remote Similarity NPD5225 Approved
0.6071 Remote Similarity NPD5224 Approved
0.6071 Remote Similarity NPD5226 Approved
0.6064 Remote Similarity NPD4787 Phase 1
0.6044 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6038 Remote Similarity NPD5207 Approved
0.6033 Remote Similarity NPD6314 Approved
0.6033 Remote Similarity NPD6313 Approved
0.6019 Remote Similarity NPD6001 Approved
0.6018 Remote Similarity NPD5174 Approved
0.6018 Remote Similarity NPD5175 Approved
0.6018 Remote Similarity NPD4754 Approved
0.6017 Remote Similarity NPD6053 Discontinued
0.6016 Remote Similarity NPD6909 Approved
0.6016 Remote Similarity NPD6908 Approved
0.6 Remote Similarity NPD5368 Approved
0.6 Remote Similarity NPD5737 Approved
0.6 Remote Similarity NPD6672 Approved
0.5983 Remote Similarity NPD4634 Approved
0.5981 Remote Similarity NPD6079 Approved
0.5965 Remote Similarity NPD5141 Approved
0.5963 Remote Similarity NPD5210 Approved
0.5963 Remote Similarity NPD7991 Discontinued
0.5963 Remote Similarity NPD4629 Approved
0.5962 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5957 Remote Similarity NPD4267 Clinical (unspecified phase)
0.595 Remote Similarity NPD7115 Discovery
0.595 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5941 Remote Similarity NPD1780 Approved
0.5941 Remote Similarity NPD1779 Approved
0.592 Remote Similarity NPD7604 Phase 2
0.592 Remote Similarity NPD7122 Discontinued
0.5913 Remote Similarity NPD4767 Approved
0.5913 Remote Similarity NPD4768 Approved
0.5909 Remote Similarity NPD4697 Phase 3
0.5897 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5891 Remote Similarity NPD5956 Approved
0.5888 Remote Similarity NPD5785 Approved
0.5887 Remote Similarity NPD5983 Phase 2
0.5882 Remote Similarity NPD4269 Approved
0.5882 Remote Similarity NPD4221 Approved
0.5882 Remote Similarity NPD4223 Phase 3
0.5882 Remote Similarity NPD3667 Approved
0.5882 Remote Similarity NPD4270 Approved
0.5877 Remote Similarity NPD6052 Approved
0.5868 Remote Similarity NPD6940 Discontinued
0.5865 Remote Similarity NPD5329 Approved
0.5856 Remote Similarity NPD7902 Approved
0.5854 Remote Similarity NPD7519 Approved
0.5854 Remote Similarity NPD7517 Approved
0.5854 Remote Similarity NPD7518 Approved
0.5849 Remote Similarity NPD5208 Approved
0.5833 Remote Similarity NPD6411 Approved
0.5833 Remote Similarity NPD6050 Approved
0.5833 Remote Similarity NPD5693 Phase 1
0.5827 Remote Similarity NPD6336 Discontinued
0.5825 Remote Similarity NPD3669 Approved
0.5825 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5818 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5814 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5812 Remote Similarity NPD4730 Approved
0.5812 Remote Similarity NPD5128 Approved
0.5812 Remote Similarity NPD4729 Approved
0.581 Remote Similarity NPD3618 Phase 1
0.5804 Remote Similarity NPD7638 Approved
0.5794 Remote Similarity NPD8328 Phase 3
0.5794 Remote Similarity NPD6067 Discontinued
0.5789 Remote Similarity NPD8138 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3353855
ZINC  

Physicochemical Properties

Molecular Weight:  500.31
ALogP:  1.4167
MLogP:  4.1
XLogP:  3.14
# Rotatable Bonds:  8
Polar Surface Area:  89.9
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  36

Download Data

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