Natural Product: NPC178853

Natural Product ID:  NPC178853
Common Name:   Asparacosin B
IUPAC Name:  
Synonyms:   Asparacosin B
Molecular Formula:   C29H46O6
Standard InCHIKey:  FJZMHTUXQXEAPK-RSLKRIGASA-N
Standard InCHI:  InChI=1S/C29H46O6/c1-17-9-10-28(34-16-17)18(2)29(31)24(35-28)14-22-20-8-7-19-15-27(32-5,33-6)12-11-25(19,3)21(20)13-23(30)26(22,29)4/h17-22,24,31H,7-16H2,1-6H3/t17-,18-,19-,20-,21+,22+,24+,25+,26-,28-,29-/m1/s1
Canonical SMILES:  COC1(OC)CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC(=O)[C@]2([C@H]1C[C@H]1[C@]2(O)[C@H](C)[C@]2(O1)CC[C@H](CO2)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
NPO11694 Asparagus cochinchinensis Species Asparagaceae Eukaryota TCM_Taiwan*
NPO11694 Asparagus cochinchinensis Species Asparagaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 > 20 ug/ml 14987058
NPT1851 Cell Line Col2 Homo sapiens IC50 > 20 ug/ml 14987058
NPT858 Cell Line LNCaP Homo sapiens IC50 > 20 ug/ml 14987058
NPT1034 Cell Line Lu1 Homo sapiens IC50 > 20 ug/ml 14987058
NPT737 Cell Line HUVEC Homo sapiens IC50 > 20 ug/ml 14987058

  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 NPC178853 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
0.9043 High Similarity NPC161035
0.8932 High Similarity NPC473062
0.8812 High Similarity NPC215408
0.88 High Similarity NPC107385
0.8763 High Similarity NPC476728
0.8713 High Similarity NPC470167
0.87 High Similarity NPC470172
0.866 High Similarity NPC305808
0.8641 High Similarity NPC202898
0.8641 High Similarity NPC92890
0.8641 High Similarity NPC475319
0.8614 High Similarity NPC471253
0.8614 High Similarity NPC473406
0.8598 High Similarity NPC475490
0.8571 High Similarity NPC116683
0.8558 High Similarity NPC233433
0.8558 High Similarity NPC473817
0.8558 High Similarity NPC220836
0.8558 High Similarity NPC94086
0.8558 High Similarity NPC273002
0.8558 High Similarity NPC92297
0.8529 High Similarity NPC100078
0.8515 High Similarity NPC213528
0.8515 High Similarity NPC244969
0.8505 High Similarity NPC79193
0.85 High Similarity NPC20028
0.8485 Intermediate Similarity NPC471241
0.8447 Intermediate Similarity NPC166079
0.8431 Intermediate Similarity NPC34562
0.8416 Intermediate Similarity NPC477172
0.8396 Intermediate Similarity NPC469824
0.8349 Intermediate Similarity NPC179429
0.8333 Intermediate Similarity NPC61688
0.8333 Intermediate Similarity NPC310031
0.8333 Intermediate Similarity NPC471254
0.8333 Intermediate Similarity NPC80191
0.8317 Intermediate Similarity NPC41843
0.83 Intermediate Similarity NPC472273
0.8283 Intermediate Similarity NPC215570
0.8269 Intermediate Similarity NPC306776
0.8265 Intermediate Similarity NPC476189
0.8241 Intermediate Similarity NPC97002
0.8211 Intermediate Similarity NPC80700
0.82 Intermediate Similarity NPC156377
0.82 Intermediate Similarity NPC193785
0.8182 Intermediate Similarity NPC470424
0.8182 Intermediate Similarity NPC206878
0.8173 Intermediate Similarity NPC88469
0.8172 Intermediate Similarity NPC24556
0.8155 Intermediate Similarity NPC80640
0.8148 Intermediate Similarity NPC477489
0.8148 Intermediate Similarity NPC477492
0.8144 Intermediate Similarity NPC228059
0.8137 Intermediate Similarity NPC80417
0.8113 Intermediate Similarity NPC469826
0.8085 Intermediate Similarity NPC268578
0.8085 Intermediate Similarity NPC292458
0.8085 Intermediate Similarity NPC217559
0.8073 Intermediate Similarity NPC102619
0.8039 Intermediate Similarity NPC253995
0.8037 Intermediate Similarity NPC227879
0.8037 Intermediate Similarity NPC208333
0.8037 Intermediate Similarity NPC87393
0.8021 Intermediate Similarity NPC474448
0.802 Intermediate Similarity NPC475785
0.8019 Intermediate Similarity NPC203974
0.8 Intermediate Similarity NPC470423
0.8 Intermediate Similarity NPC227260
0.8 Intermediate Similarity NPC267637
0.7982 Intermediate Similarity NPC471245
0.798 Intermediate Similarity NPC59006
0.7979 Intermediate Similarity NPC317066
0.7963 Intermediate Similarity NPC470622
0.7963 Intermediate Similarity NPC66513
0.7963 Intermediate Similarity NPC106760
0.7959 Intermediate Similarity NPC200580
0.7944 Intermediate Similarity NPC55973
0.7938 Intermediate Similarity NPC263802
0.7938 Intermediate Similarity NPC161928
0.7938 Intermediate Similarity NPC210658
0.7925 Intermediate Similarity NPC273189
0.7925 Intermediate Similarity NPC184805
0.7921 Intermediate Similarity NPC473067
0.7921 Intermediate Similarity NPC17336
0.7921 Intermediate Similarity NPC473065
0.7921 Intermediate Similarity NPC474399
0.7921 Intermediate Similarity NPC473064
0.7917 Intermediate Similarity NPC232044
0.7917 Intermediate Similarity NPC273290
0.7909 Intermediate Similarity NPC178981
0.7909 Intermediate Similarity NPC471248
0.79 Intermediate Similarity NPC182740
0.79 Intermediate Similarity NPC256104
0.79 Intermediate Similarity NPC472237
0.79 Intermediate Similarity NPC211845
0.79 Intermediate Similarity NPC311246
0.79 Intermediate Similarity NPC472238
0.79 Intermediate Similarity NPC122083
0.79 Intermediate Similarity NPC167644
0.789 Intermediate Similarity NPC272242
0.789 Intermediate Similarity NPC122339
0.7879 Intermediate Similarity NPC77756
0.7879 Intermediate Similarity NPC473542
0.787 Intermediate Similarity NPC228190
0.787 Intermediate Similarity NPC236753
0.787 Intermediate Similarity NPC469825
0.7864 Intermediate Similarity NPC472144
0.7857 Intermediate Similarity NPC477614
0.7857 Intermediate Similarity NPC128475
0.7857 Intermediate Similarity NPC226491
0.785 Intermediate Similarity NPC67745
0.785 Intermediate Similarity NPC471461
0.785 Intermediate Similarity NPC471430
0.7849 Intermediate Similarity NPC245029
0.7849 Intermediate Similarity NPC31302
0.7843 Intermediate Similarity NPC475765
0.7838 Intermediate Similarity NPC470115
0.7838 Intermediate Similarity NPC470116
0.7835 Intermediate Similarity NPC476726
0.7835 Intermediate Similarity NPC476727
0.7835 Intermediate Similarity NPC472272
0.783 Intermediate Similarity NPC469827
0.7822 Intermediate Similarity NPC30687
0.7822 Intermediate Similarity NPC309127
0.7822 Intermediate Similarity NPC477224
0.7822 Intermediate Similarity NPC45959
0.7822 Intermediate Similarity NPC175
0.7822 Intermediate Similarity NPC252253
0.7822 Intermediate Similarity NPC247877
0.7822 Intermediate Similarity NPC3538
0.7822 Intermediate Similarity NPC113500
0.7822 Intermediate Similarity NPC477495
0.7818 Intermediate Similarity NPC471244
0.7818 Intermediate Similarity NPC473303
0.7812 Intermediate Similarity NPC50438
0.781 Intermediate Similarity NPC114700
0.781 Intermediate Similarity NPC134967
0.781 Intermediate Similarity NPC470029
0.781 Intermediate Similarity NPC310138
0.7807 Intermediate Similarity NPC108072
0.78 Intermediate Similarity NPC149966
0.78 Intermediate Similarity NPC5632
0.78 Intermediate Similarity NPC36372
0.78 Intermediate Similarity NPC475878
0.7798 Intermediate Similarity NPC473324
0.7798 Intermediate Similarity NPC471093
0.7789 Intermediate Similarity NPC296734
0.7789 Intermediate Similarity NPC477936
0.7789 Intermediate Similarity NPC470611
0.7788 Intermediate Similarity NPC470030
0.7778 Intermediate Similarity NPC224414
0.7778 Intermediate Similarity NPC102725
0.7778 Intermediate Similarity NPC189663
0.7778 Intermediate Similarity NPC67653
0.7778 Intermediate Similarity NPC472079
0.7778 Intermediate Similarity NPC63841
0.7778 Intermediate Similarity NPC82955
0.7778 Intermediate Similarity NPC89860
0.7778 Intermediate Similarity NPC471459
0.7767 Intermediate Similarity NPC472145
0.7767 Intermediate Similarity NPC470028
0.7767 Intermediate Similarity NPC274200
0.7767 Intermediate Similarity NPC233649
0.7766 Intermediate Similarity NPC470609
0.7766 Intermediate Similarity NPC248944
0.7766 Intermediate Similarity NPC7479
0.7766 Intermediate Similarity NPC257296
0.7757 Intermediate Similarity NPC4115
0.7757 Intermediate Similarity NPC307660
0.7757 Intermediate Similarity NPC130511
0.7748 Intermediate Similarity NPC471252
0.7745 Intermediate Similarity NPC287354
0.7745 Intermediate Similarity NPC62407
0.7732 Intermediate Similarity NPC290612
0.7727 Intermediate Similarity NPC29505
0.7727 Intermediate Similarity NPC63244
0.7723 Intermediate Similarity NPC277774
0.7723 Intermediate Similarity NPC149400
0.7723 Intermediate Similarity NPC472231
0.7723 Intermediate Similarity NPC325828
0.7723 Intermediate Similarity NPC88962
0.7723 Intermediate Similarity NPC177834
0.7723 Intermediate Similarity NPC477547
0.7723 Intermediate Similarity NPC48339
0.7723 Intermediate Similarity NPC141769
0.7723 Intermediate Similarity NPC477451
0.7723 Intermediate Similarity NPC144790
0.7723 Intermediate Similarity NPC474379
0.7723 Intermediate Similarity NPC472232
0.7723 Intermediate Similarity NPC249204
0.7723 Intermediate Similarity NPC234352
0.7723 Intermediate Similarity NPC297348
0.7723 Intermediate Similarity NPC250393
0.7714 Intermediate Similarity NPC472081
0.7714 Intermediate Similarity NPC298266
0.7714 Intermediate Similarity NPC259654
0.7714 Intermediate Similarity NPC475574
0.7714 Intermediate Similarity NPC476512
0.7714 Intermediate Similarity NPC108227
0.7708 Intermediate Similarity NPC472744

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC178853 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
0.8713 High Similarity NPD8170 Clinical (unspecified phase)
0.7766 Intermediate Similarity NPD6928 Phase 2
0.7723 Intermediate Similarity NPD8171 Discontinued
0.7652 Intermediate Similarity NPD6054 Approved
0.7652 Intermediate Similarity NPD6059 Approved
0.7521 Intermediate Similarity NPD6370 Approved
0.75 Intermediate Similarity NPD7736 Approved
0.7436 Intermediate Similarity NPD6016 Approved
0.7436 Intermediate Similarity NPD6015 Approved
0.7395 Intermediate Similarity NPD7492 Approved
0.7383 Intermediate Similarity NPD1700 Approved
0.7373 Intermediate Similarity NPD5988 Approved
0.7333 Intermediate Similarity NPD6616 Approved
0.7295 Intermediate Similarity NPD7319 Approved
0.7273 Intermediate Similarity NPD8293 Discontinued
0.7273 Intermediate Similarity NPD7078 Approved
0.7207 Intermediate Similarity NPD6412 Phase 2
0.719 Intermediate Similarity NPD7507 Approved
0.713 Intermediate Similarity NPD8133 Approved
0.7073 Intermediate Similarity NPD6033 Approved
0.7053 Intermediate Similarity NPD3703 Phase 2
0.7053 Intermediate Similarity NPD3702 Approved
0.7027 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD6114 Approved
0.701 Intermediate Similarity NPD6115 Approved
0.701 Intermediate Similarity NPD6118 Approved
0.701 Intermediate Similarity NPD6697 Approved
0.6991 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6949 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6917 Remote Similarity NPD6319 Approved
0.6915 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6915 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6907 Remote Similarity NPD6116 Phase 1
0.6864 Remote Similarity NPD6940 Discontinued
0.6809 Remote Similarity NPD4245 Approved
0.6809 Remote Similarity NPD4244 Approved
0.6804 Remote Similarity NPD6117 Approved
0.6783 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6774 Remote Similarity NPD5360 Phase 3
0.6774 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6759 Remote Similarity NPD7991 Discontinued
0.6748 Remote Similarity NPD8328 Phase 3
0.6737 Remote Similarity NPD5777 Approved
0.6724 Remote Similarity NPD4634 Approved
0.6702 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6702 Remote Similarity NPD3698 Phase 2
0.6702 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD4238 Approved
0.6667 Remote Similarity NPD4802 Phase 2
0.6667 Remote Similarity NPD6009 Approved
0.6636 Remote Similarity NPD8034 Phase 2
0.6636 Remote Similarity NPD8035 Phase 2
0.6612 Remote Similarity NPD7328 Approved
0.6612 Remote Similarity NPD7327 Approved
0.661 Remote Similarity NPD6882 Approved
0.6557 Remote Similarity NPD7516 Approved
0.6555 Remote Similarity NPD4632 Approved
0.6552 Remote Similarity NPD7320 Approved
0.6526 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6402 Approved
0.6522 Remote Similarity NPD5739 Approved
0.6522 Remote Similarity NPD7128 Approved
0.6522 Remote Similarity NPD6675 Approved
0.6504 Remote Similarity NPD8377 Approved
0.6504 Remote Similarity NPD8294 Approved
0.6496 Remote Similarity NPD6373 Approved
0.6496 Remote Similarity NPD6372 Approved
0.648 Remote Similarity NPD6067 Discontinued
0.6471 Remote Similarity NPD1779 Approved
0.6471 Remote Similarity NPD8297 Approved
0.6471 Remote Similarity NPD1780 Approved
0.6458 Remote Similarity NPD4789 Approved
0.6452 Remote Similarity NPD8033 Approved
0.6452 Remote Similarity NPD8380 Approved
0.6452 Remote Similarity NPD8296 Approved
0.6452 Remote Similarity NPD8379 Approved
0.6452 Remote Similarity NPD8335 Approved
0.6452 Remote Similarity NPD8378 Approved
0.6434 Remote Similarity NPD5956 Approved
0.641 Remote Similarity NPD6881 Approved
0.641 Remote Similarity NPD6899 Approved
0.6392 Remote Similarity NPD6081 Approved
0.6392 Remote Similarity NPD4758 Discontinued
0.6387 Remote Similarity NPD6650 Approved
0.6387 Remote Similarity NPD6649 Approved
0.6346 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6346 Remote Similarity NPD3669 Approved
0.6339 Remote Similarity NPD4755 Approved
0.6337 Remote Similarity NPD5364 Discontinued
0.6325 Remote Similarity NPD5701 Approved
0.6325 Remote Similarity NPD5697 Approved
0.632 Remote Similarity NPD6921 Approved
0.6303 Remote Similarity NPD7102 Approved
0.6303 Remote Similarity NPD6883 Approved
0.6303 Remote Similarity NPD7290 Approved
0.6277 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6273 Remote Similarity NPD6399 Phase 3
0.626 Remote Similarity NPD7115 Discovery
0.625 Remote Similarity NPD8130 Phase 1
0.625 Remote Similarity NPD6617 Approved
0.625 Remote Similarity NPD6847 Approved
0.625 Remote Similarity NPD6869 Approved
0.6228 Remote Similarity NPD5286 Approved
0.6228 Remote Similarity NPD4700 Approved
0.6228 Remote Similarity NPD5285 Approved
0.6228 Remote Similarity NPD4696 Approved
0.6226 Remote Similarity NPD7520 Clinical (unspecified phase)
0.622 Remote Similarity NPD7604 Phase 2
0.6218 Remote Similarity NPD6013 Approved
0.6218 Remote Similarity NPD6014 Approved
0.6218 Remote Similarity NPD6012 Approved
0.6211 Remote Similarity NPD4224 Phase 2
0.619 Remote Similarity NPD4788 Approved
0.619 Remote Similarity NPD5983 Phase 2
0.6176 Remote Similarity NPD3671 Phase 1
0.6134 Remote Similarity NPD6011 Approved
0.6134 Remote Similarity NPD6686 Approved
0.6124 Remote Similarity NPD6336 Discontinued
0.6122 Remote Similarity NPD4787 Phase 1
0.6121 Remote Similarity NPD8085 Approved
0.6121 Remote Similarity NPD8083 Approved
0.6121 Remote Similarity NPD8084 Approved
0.6121 Remote Similarity NPD8139 Approved
0.6121 Remote Similarity NPD5224 Approved
0.6121 Remote Similarity NPD5211 Phase 2
0.6121 Remote Similarity NPD8138 Approved
0.6121 Remote Similarity NPD4633 Approved
0.6121 Remote Similarity NPD5226 Approved
0.6121 Remote Similarity NPD5225 Approved
0.6121 Remote Similarity NPD8086 Approved
0.6121 Remote Similarity NPD8082 Approved
0.6116 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6068 Remote Similarity NPD8275 Approved
0.6068 Remote Similarity NPD5174 Approved
0.6068 Remote Similarity NPD8276 Approved
0.6068 Remote Similarity NPD5175 Approved
0.6063 Remote Similarity NPD7503 Approved
0.6063 Remote Similarity NPD8513 Phase 3
0.6063 Remote Similarity NPD8517 Approved
0.6063 Remote Similarity NPD8515 Approved
0.6063 Remote Similarity NPD8516 Approved
0.6053 Remote Similarity NPD6083 Phase 2
0.6053 Remote Similarity NPD6084 Phase 2
0.6034 Remote Similarity NPD5223 Approved
0.6018 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6017 Remote Similarity NPD8081 Approved
0.6017 Remote Similarity NPD5141 Approved
0.6 Remote Similarity NPD5696 Approved
0.6 Remote Similarity NPD7638 Approved
0.6 Remote Similarity NPD5328 Approved
0.5982 Remote Similarity NPD4202 Approved
0.5966 Remote Similarity NPD4768 Approved
0.5966 Remote Similarity NPD8393 Approved
0.5966 Remote Similarity NPD4767 Approved
0.5966 Remote Similarity NPD6920 Discontinued
0.595 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5948 Remote Similarity NPD7639 Approved
0.5948 Remote Similarity NPD7640 Approved
0.5941 Remote Similarity NPD1810 Approved
0.5941 Remote Similarity NPD1811 Approved
0.5938 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5932 Remote Similarity NPD4754 Approved
0.592 Remote Similarity NPD6274 Approved
0.5913 Remote Similarity NPD7902 Approved
0.5909 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5906 Remote Similarity NPD7100 Approved
0.5906 Remote Similarity NPD7101 Approved
0.5902 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5893 Remote Similarity NPD6079 Approved
0.5877 Remote Similarity NPD5695 Phase 3
0.5872 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5868 Remote Similarity NPD5128 Approved
0.5868 Remote Similarity NPD8174 Phase 2
0.5868 Remote Similarity NPD4729 Approved
0.5868 Remote Similarity NPD4730 Approved
0.5856 Remote Similarity NPD4753 Phase 2
0.5847 Remote Similarity NPD7632 Discontinued
0.5833 Remote Similarity NPD4786 Approved
0.5827 Remote Similarity NPD6335 Approved
0.5826 Remote Similarity NPD4697 Phase 3
0.5814 Remote Similarity NPD6908 Approved
0.5814 Remote Similarity NPD6909 Approved
0.5812 Remote Similarity NPD8418 Phase 2
0.5806 Remote Similarity NPD6053 Discontinued
0.58 Remote Similarity NPD2687 Approved
0.58 Remote Similarity NPD7532 Clinical (unspecified phase)
0.58 Remote Similarity NPD2686 Approved
0.58 Remote Similarity NPD2254 Approved
0.5789 Remote Similarity NPD7748 Approved
0.5789 Remote Similarity NPD5282 Discontinued
0.5781 Remote Similarity NPD4522 Approved
0.5772 Remote Similarity NPD5251 Approved
0.5772 Remote Similarity NPD5249 Phase 3
0.5772 Remote Similarity NPD5248 Approved
0.5772 Remote Similarity NPD5247 Approved
0.5772 Remote Similarity NPD5250 Approved
0.5766 Remote Similarity NPD6903 Approved

Structure

External Identifiers

PubChem CID   21575013
ChEMBL   CHEMBL473454
ZINC  

Physicochemical Properties

Molecular Weight:  490.33
ALogP:  -0.49
MLogP:  3.99
XLogP:  4.375
# Rotatable Bonds:  9
Polar Surface Area:  74.22
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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