Natural Product: NPC97884

Natural Product ID:  NPC97884
Common Name:   Ergosteryl Palmitate
IUPAC Name:   [(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate
Synonyms:  
Molecular Formula:   C44H74O2
Standard InCHIKey:  OJDWINNMESMCGK-NXCSPJMSSA-N
Standard InCHI:  InChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h22-25,33-35,37,39-41H,8-21,26-32H2,1-7H3/b23-22+/t34-,35+,37-,39+,40-,41-,43-,44+/m0/s1
Canonical SMILES:  CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC=C3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)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
NPO33451 hericium erinaceum Species Hericiaceae Eukaryota PMID[25437304]
NPO31373 Chaetomium longirostre Species Chaetomiaceae Eukaryota PMID[22004007]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3942 Protein Family Peroxisome proliferator-activated receptor Homo sapiens EC50 > 50000 nM 25437304

  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 NPC97884 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 NPC472220
0.9756 High Similarity NPC264127
0.8902 High Similarity NPC44083
0.8902 High Similarity NPC153987
0.8864 High Similarity NPC471896
0.8837 High Similarity NPC155011
0.8764 High Similarity NPC26888
0.8721 High Similarity NPC470223
0.869 High Similarity NPC474955
0.8652 High Similarity NPC475965
0.8652 High Similarity NPC474842
0.8652 High Similarity NPC148414
0.8652 High Similarity NPC175628
0.8652 High Similarity NPC111585
0.8636 High Similarity NPC28227
0.8621 High Similarity NPC195640
0.8605 High Similarity NPC100391
0.8605 High Similarity NPC139566
0.8571 High Similarity NPC471078
0.8571 High Similarity NPC473280
0.8571 High Similarity NPC473435
0.8571 High Similarity NPC473431
0.8556 High Similarity NPC218301
0.8554 High Similarity NPC4827
0.8539 High Similarity NPC84271
0.8539 High Similarity NPC474570
0.8539 High Similarity NPC77168
0.8539 High Similarity NPC474889
0.8539 High Similarity NPC102414
0.8539 High Similarity NPC475049
0.8523 High Similarity NPC474684
0.8523 High Similarity NPC142361
0.8506 High Similarity NPC323765
0.8495 Intermediate Similarity NPC110937
0.8478 Intermediate Similarity NPC469599
0.8462 Intermediate Similarity NPC470224
0.8409 Intermediate Similarity NPC9892
0.8409 Intermediate Similarity NPC329943
0.8409 Intermediate Similarity NPC325594
0.8409 Intermediate Similarity NPC10005
0.8409 Intermediate Similarity NPC91525
0.8404 Intermediate Similarity NPC477813
0.8391 Intermediate Similarity NPC475509
0.8391 Intermediate Similarity NPC312660
0.8391 Intermediate Similarity NPC221758
0.8391 Intermediate Similarity NPC59453
0.8372 Intermediate Similarity NPC240302
0.8372 Intermediate Similarity NPC100297
0.837 Intermediate Similarity NPC56525
0.837 Intermediate Similarity NPC159410
0.8333 Intermediate Similarity NPC475921
0.8333 Intermediate Similarity NPC128496
0.8333 Intermediate Similarity NPC474704
0.8333 Intermediate Similarity NPC35574
0.8316 Intermediate Similarity NPC266955
0.8315 Intermediate Similarity NPC187376
0.8315 Intermediate Similarity NPC162107
0.8315 Intermediate Similarity NPC233836
0.8315 Intermediate Similarity NPC159046
0.8315 Intermediate Similarity NPC167877
0.8315 Intermediate Similarity NPC46912
0.8315 Intermediate Similarity NPC58063
0.8313 Intermediate Similarity NPC899
0.8295 Intermediate Similarity NPC98270
0.8295 Intermediate Similarity NPC470048
0.8295 Intermediate Similarity NPC474971
0.8293 Intermediate Similarity NPC166797
0.828 Intermediate Similarity NPC33473
0.828 Intermediate Similarity NPC279974
0.828 Intermediate Similarity NPC84383
0.8276 Intermediate Similarity NPC83569
0.8276 Intermediate Similarity NPC139206
0.8276 Intermediate Similarity NPC470046
0.8276 Intermediate Similarity NPC470047
0.8276 Intermediate Similarity NPC69279
0.8261 Intermediate Similarity NPC79117
0.8256 Intermediate Similarity NPC147066
0.8235 Intermediate Similarity NPC158565
0.8229 Intermediate Similarity NPC115899
0.8229 Intermediate Similarity NPC168319
0.8229 Intermediate Similarity NPC194028
0.8229 Intermediate Similarity NPC99411
0.8222 Intermediate Similarity NPC242864
0.8222 Intermediate Similarity NPC473879
0.8222 Intermediate Similarity NPC224145
0.8222 Intermediate Similarity NPC470612
0.8222 Intermediate Similarity NPC470613
0.8211 Intermediate Similarity NPC471582
0.8202 Intermediate Similarity NPC474970
0.8202 Intermediate Similarity NPC470050
0.8202 Intermediate Similarity NPC55309
0.8202 Intermediate Similarity NPC474732
0.8202 Intermediate Similarity NPC474778
0.8202 Intermediate Similarity NPC474733
0.8202 Intermediate Similarity NPC28252
0.8202 Intermediate Similarity NPC31564
0.8202 Intermediate Similarity NPC145879
0.8202 Intermediate Similarity NPC470051
0.8202 Intermediate Similarity NPC51014
0.8191 Intermediate Similarity NPC106425
0.8191 Intermediate Similarity NPC327788
0.8191 Intermediate Similarity NPC151725
0.8191 Intermediate Similarity NPC58052
0.8191 Intermediate Similarity NPC322063
0.8191 Intermediate Similarity NPC78473
0.8191 Intermediate Similarity NPC111684
0.8191 Intermediate Similarity NPC122324
0.8191 Intermediate Similarity NPC120708
0.8182 Intermediate Similarity NPC165064
0.8182 Intermediate Similarity NPC109512
0.8172 Intermediate Similarity NPC469406
0.8172 Intermediate Similarity NPC49670
0.8161 Intermediate Similarity NPC328351
0.8161 Intermediate Similarity NPC296367
0.8161 Intermediate Similarity NPC321289
0.8161 Intermediate Similarity NPC260956
0.8161 Intermediate Similarity NPC151519
0.8161 Intermediate Similarity NPC327969
0.8152 Intermediate Similarity NPC77099
0.8152 Intermediate Similarity NPC60755
0.8152 Intermediate Similarity NPC189520
0.8152 Intermediate Similarity NPC301244
0.8152 Intermediate Similarity NPC154101
0.8152 Intermediate Similarity NPC177641
0.8152 Intermediate Similarity NPC470590
0.8152 Intermediate Similarity NPC285184
0.8144 Intermediate Similarity NPC308351
0.8144 Intermediate Similarity NPC114540
0.8144 Intermediate Similarity NPC271266
0.8144 Intermediate Similarity NPC32577
0.8144 Intermediate Similarity NPC155332
0.814 Intermediate Similarity NPC269791
0.8132 Intermediate Similarity NPC177141
0.8111 Intermediate Similarity NPC96496
0.8111 Intermediate Similarity NPC128644
0.8111 Intermediate Similarity NPC475740
0.8105 Intermediate Similarity NPC292133
0.8105 Intermediate Similarity NPC23680
0.8105 Intermediate Similarity NPC108078
0.8095 Intermediate Similarity NPC41017
0.809 Intermediate Similarity NPC76333
0.809 Intermediate Similarity NPC29447
0.8085 Intermediate Similarity NPC222845
0.8085 Intermediate Similarity NPC184848
0.8085 Intermediate Similarity NPC69548
0.8085 Intermediate Similarity NPC162001
0.8085 Intermediate Similarity NPC45324
0.8081 Intermediate Similarity NPC469874
0.8072 Intermediate Similarity NPC306928
0.8068 Intermediate Similarity NPC477852
0.8065 Intermediate Similarity NPC107674
0.8065 Intermediate Similarity NPC170220
0.8065 Intermediate Similarity NPC141497
0.8065 Intermediate Similarity NPC470375
0.8065 Intermediate Similarity NPC474185
0.8065 Intermediate Similarity NPC66429
0.8065 Intermediate Similarity NPC470376
0.8065 Intermediate Similarity NPC152897
0.8046 Intermediate Similarity NPC327002
0.8046 Intermediate Similarity NPC201912
0.8046 Intermediate Similarity NPC38350
0.8046 Intermediate Similarity NPC108476
0.8043 Intermediate Similarity NPC273199
0.8043 Intermediate Similarity NPC474728
0.8043 Intermediate Similarity NPC123854
0.8043 Intermediate Similarity NPC120840
0.8043 Intermediate Similarity NPC469595
0.8043 Intermediate Similarity NPC113989
0.8043 Intermediate Similarity NPC220454
0.8043 Intermediate Similarity NPC46281
0.8043 Intermediate Similarity NPC212679
0.8043 Intermediate Similarity NPC44240
0.8041 Intermediate Similarity NPC310981
0.8023 Intermediate Similarity NPC327674
0.8023 Intermediate Similarity NPC477371
0.8023 Intermediate Similarity NPC471475
0.8022 Intermediate Similarity NPC24816
0.8022 Intermediate Similarity NPC4309
0.8022 Intermediate Similarity NPC474845
0.8022 Intermediate Similarity NPC328313
0.8021 Intermediate Similarity NPC119036
0.8021 Intermediate Similarity NPC98868
0.8021 Intermediate Similarity NPC477854
0.8 Intermediate Similarity NPC73038
0.8 Intermediate Similarity NPC473168
0.8 Intermediate Similarity NPC118648
0.8 Intermediate Similarity NPC472300
0.8 Intermediate Similarity NPC471153
0.8 Intermediate Similarity NPC475022
0.8 Intermediate Similarity NPC222613
0.8 Intermediate Similarity NPC42042
0.8 Intermediate Similarity NPC307164
0.7979 Intermediate Similarity NPC294266
0.7979 Intermediate Similarity NPC80365
0.7978 Intermediate Similarity NPC25833
0.7978 Intermediate Similarity NPC85774
0.7978 Intermediate Similarity NPC320801
0.7978 Intermediate Similarity NPC214043
0.7978 Intermediate Similarity NPC469407
0.7978 Intermediate Similarity NPC82902

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC97884 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
0.8667 High Similarity NPD6399 Phase 3
0.8621 High Similarity NPD6409 Approved
0.8621 High Similarity NPD7521 Approved
0.8621 High Similarity NPD6684 Approved
0.8621 High Similarity NPD7334 Approved
0.8621 High Similarity NPD5330 Approved
0.8621 High Similarity NPD7146 Approved
0.8427 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8427 Intermediate Similarity NPD6903 Approved
0.8427 Intermediate Similarity NPD6672 Approved
0.8427 Intermediate Similarity NPD5737 Approved
0.8391 Intermediate Similarity NPD4786 Approved
0.8202 Intermediate Similarity NPD6098 Approved
0.8161 Intermediate Similarity NPD3667 Approved
0.8043 Intermediate Similarity NPD5207 Approved
0.7978 Intermediate Similarity NPD3668 Phase 3
0.7957 Intermediate Similarity NPD5694 Approved
0.7957 Intermediate Similarity NPD6050 Approved
0.7935 Intermediate Similarity NPD6673 Approved
0.7935 Intermediate Similarity NPD6080 Approved
0.7935 Intermediate Similarity NPD6904 Approved
0.7849 Intermediate Similarity NPD5692 Phase 3
0.7826 Intermediate Similarity NPD5208 Approved
0.7789 Intermediate Similarity NPD7900 Approved
0.7789 Intermediate Similarity NPD7748 Approved
0.7789 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7766 Intermediate Similarity NPD8034 Phase 2
0.7766 Intermediate Similarity NPD8035 Phase 2
0.7766 Intermediate Similarity NPD6079 Approved
0.7742 Intermediate Similarity NPD5328 Approved
0.7732 Intermediate Similarity NPD6083 Phase 2
0.7732 Intermediate Similarity NPD6084 Phase 2
0.7708 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD3618 Phase 1
0.7609 Intermediate Similarity NPD5279 Phase 3
0.7582 Intermediate Similarity NPD3665 Phase 1
0.7582 Intermediate Similarity NPD3666 Approved
0.7582 Intermediate Similarity NPD3133 Approved
0.7579 Intermediate Similarity NPD5281 Approved
0.7579 Intermediate Similarity NPD5284 Approved
0.7579 Intermediate Similarity NPD5693 Phase 1
0.7579 Intermediate Similarity NPD6411 Approved
0.7573 Intermediate Similarity NPD6881 Approved
0.7573 Intermediate Similarity NPD6899 Approved
0.7558 Intermediate Similarity NPD8039 Approved
0.7558 Intermediate Similarity NPD6942 Approved
0.7558 Intermediate Similarity NPD7339 Approved
0.7553 Intermediate Similarity NPD6051 Approved
0.7551 Intermediate Similarity NPD7902 Approved
0.7549 Intermediate Similarity NPD6008 Approved
0.7549 Intermediate Similarity NPD5739 Approved
0.7549 Intermediate Similarity NPD6675 Approved
0.7549 Intermediate Similarity NPD6402 Approved
0.7549 Intermediate Similarity NPD7128 Approved
0.7527 Intermediate Similarity NPD3573 Approved
0.7526 Intermediate Similarity NPD5695 Phase 3
0.7524 Intermediate Similarity NPD8130 Phase 1
0.7476 Intermediate Similarity NPD5697 Approved
0.7475 Intermediate Similarity NPD5696 Approved
0.7453 Intermediate Similarity NPD8297 Approved
0.7442 Intermediate Similarity NPD4058 Approved
0.7442 Intermediate Similarity NPD5733 Approved
0.7442 Intermediate Similarity NPD4687 Approved
0.7429 Intermediate Similarity NPD7290 Approved
0.7429 Intermediate Similarity NPD7102 Approved
0.7429 Intermediate Similarity NPD6883 Approved
0.7423 Intermediate Similarity NPD6001 Approved
0.7404 Intermediate Similarity NPD6011 Approved
0.7404 Intermediate Similarity NPD7320 Approved
0.7396 Intermediate Similarity NPD7637 Suspended
0.7396 Intermediate Similarity NPD7515 Phase 2
0.7368 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6101 Approved
0.7363 Intermediate Similarity NPD4221 Approved
0.7363 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD4223 Phase 3
0.7358 Intermediate Similarity NPD6847 Approved
0.7358 Intermediate Similarity NPD6617 Approved
0.7358 Intermediate Similarity NPD6869 Approved
0.7358 Intermediate Similarity NPD6650 Approved
0.7358 Intermediate Similarity NPD6649 Approved
0.7347 Intermediate Similarity NPD5654 Approved
0.7333 Intermediate Similarity NPD6373 Approved
0.7333 Intermediate Similarity NPD6014 Approved
0.7333 Intermediate Similarity NPD6013 Approved
0.7333 Intermediate Similarity NPD6012 Approved
0.7333 Intermediate Similarity NPD6372 Approved
0.732 Intermediate Similarity NPD4202 Approved
0.7312 Intermediate Similarity NPD5329 Approved
0.7308 Intermediate Similarity NPD5701 Approved
0.73 Intermediate Similarity NPD7638 Approved
0.7294 Intermediate Similarity NPD4747 Approved
0.729 Intermediate Similarity NPD6882 Approved
0.7273 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5221 Approved
0.7273 Intermediate Similarity NPD5222 Approved
0.7273 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6926 Approved
0.7241 Intermediate Similarity NPD6924 Approved
0.7234 Intermediate Similarity NPD4694 Approved
0.7234 Intermediate Similarity NPD5280 Approved
0.7228 Intermediate Similarity NPD7640 Approved
0.7228 Intermediate Similarity NPD7639 Approved
0.7222 Intermediate Similarity NPD7094 Approved
0.7222 Intermediate Similarity NPD6858 Approved
0.7209 Intermediate Similarity NPD5777 Approved
0.7209 Intermediate Similarity NPD7152 Approved
0.7209 Intermediate Similarity NPD5276 Approved
0.7209 Intermediate Similarity NPD7150 Approved
0.7209 Intermediate Similarity NPD7151 Approved
0.7204 Intermediate Similarity NPD4197 Approved
0.72 Intermediate Similarity NPD5959 Approved
0.72 Intermediate Similarity NPD5173 Approved
0.7196 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD4753 Phase 2
0.7188 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD7115 Discovery
0.7176 Intermediate Similarity NPD4137 Phase 3
0.7128 Intermediate Similarity NPD1694 Approved
0.71 Intermediate Similarity NPD4697 Phase 3
0.7093 Intermediate Similarity NPD7144 Approved
0.7093 Intermediate Similarity NPD7143 Approved
0.7093 Intermediate Similarity NPD4691 Approved
0.7091 Intermediate Similarity NPD6868 Approved
0.7079 Intermediate Similarity NPD6933 Approved
0.7059 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5286 Approved
0.7059 Intermediate Similarity NPD5285 Approved
0.7059 Intermediate Similarity NPD4696 Approved
0.7053 Intermediate Similarity NPD4689 Approved
0.7053 Intermediate Similarity NPD5690 Phase 2
0.7053 Intermediate Similarity NPD5205 Approved
0.7053 Intermediate Similarity NPD4138 Approved
0.7053 Intermediate Similarity NPD4688 Approved
0.7053 Intermediate Similarity NPD4690 Approved
0.7053 Intermediate Similarity NPD4693 Phase 3
0.7045 Intermediate Similarity NPD4785 Approved
0.7045 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD4784 Approved
0.703 Intermediate Similarity NPD4755 Approved
0.7019 Intermediate Similarity NPD6052 Approved
0.7 Intermediate Similarity NPD4629 Approved
0.7 Intermediate Similarity NPD5210 Approved
0.699 Remote Similarity NPD5223 Approved
0.6981 Remote Similarity NPD6614 Approved
0.6977 Remote Similarity NPD6923 Approved
0.6977 Remote Similarity NPD6922 Approved
0.697 Remote Similarity NPD5779 Approved
0.697 Remote Similarity NPD5778 Approved
0.6964 Remote Similarity NPD6335 Approved
0.6957 Remote Similarity NPD7525 Registered
0.6931 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5211 Phase 2
0.6923 Remote Similarity NPD5224 Approved
0.6923 Remote Similarity NPD4633 Approved
0.6923 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5226 Approved
0.6923 Remote Similarity NPD5225 Approved
0.6923 Remote Similarity NPD3617 Approved
0.6915 Remote Similarity NPD4788 Approved
0.6915 Remote Similarity NPD6695 Phase 3
0.6915 Remote Similarity NPD5362 Discontinued
0.6909 Remote Similarity NPD4632 Approved
0.6907 Remote Similarity NPD4518 Approved
0.6903 Remote Similarity NPD7100 Approved
0.6903 Remote Similarity NPD7101 Approved
0.6893 Remote Similarity NPD6404 Discontinued
0.6893 Remote Similarity NPD4700 Approved
0.6889 Remote Similarity NPD6117 Approved
0.6875 Remote Similarity NPD6317 Approved
0.6857 Remote Similarity NPD5175 Approved
0.6857 Remote Similarity NPD5174 Approved
0.6848 Remote Similarity NPD4195 Approved
0.6848 Remote Similarity NPD6929 Approved
0.6842 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6412 Phase 2
0.6818 Remote Similarity NPD4243 Approved
0.6814 Remote Similarity NPD6313 Approved
0.6814 Remote Similarity NPD6314 Approved
0.6813 Remote Similarity NPD6932 Approved
0.6813 Remote Similarity NPD6116 Phase 1
0.6804 Remote Similarity NPD7750 Discontinued
0.6792 Remote Similarity NPD5141 Approved
0.6786 Remote Similarity NPD6274 Approved
0.6778 Remote Similarity NPD3702 Approved
0.6774 Remote Similarity NPD6931 Approved
0.6774 Remote Similarity NPD6930 Phase 2
0.6774 Remote Similarity NPD4695 Discontinued
0.6768 Remote Similarity NPD4096 Approved
0.6765 Remote Similarity NPD7732 Phase 3
0.6739 Remote Similarity NPD6114 Approved
0.6739 Remote Similarity NPD7145 Approved
0.6739 Remote Similarity NPD6115 Approved
0.6739 Remote Similarity NPD6697 Approved
0.6739 Remote Similarity NPD6118 Approved
0.6726 Remote Similarity NPD6009 Approved
0.6702 Remote Similarity NPD5369 Approved
0.6702 Remote Similarity NPD4139 Approved
0.6702 Remote Similarity NPD4692 Approved

Structure

External Identifiers

PubChem CID   57339245
ChEMBL   CHEMBL3353029
ZINC  

Physicochemical Properties

Molecular Weight:  634.57
ALogP:  -1.0332
MLogP:  6.08
XLogP:  17.889
# Rotatable Bonds:  27
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  46

Download Data

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