Natural Product: NPC470424

Natural Product ID:  NPC470424
Common Name:   Caloncobalactone B
IUPAC Name:  
Synonyms:   Caloncobalactone B
Molecular Formula:   C30H48O6
Standard InCHIKey:  WOPFSKJVPXNLRO-UFBARVOKSA-N
Standard InCHI:  InChI=1S/C30H48O6/c1-17(7-11-23(33)27(4,5)35)24-20(31)16-30-21-10-9-19-18(8-12-22(32)26(19,2)3)15-29(21,36-25(30)34)14-13-28(24,30)6/h17-21,23-24,31,33,35H,7-16H2,1-6H3/t17-,18+,19-,20+,21-,23+,24+,28-,29+,30+/m1/s1
Canonical SMILES:  C[C@@H]([C@H]1[C@@H](O)C[C@@]23[C@]1(C)CC[C@]1([C@H]3CC[C@@H]3[C@H](C1)CCC(=O)C3(C)C)OC2=O)CC[C@@H](C(O)(C)C)O
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
NPO13364 Caloncoba glauca Species Achariaceae Eukaryota Leaves PMID[22360639]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1137 Individual Protein 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens Inhibition < 50 % 9677279
NPT4862 Individual Protein 11-beta-hydroxysteroid dehydrogenase 1 Mus musculus Inhibition < 50 % 9677279
NPT1138 Individual Protein 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens Inhibition < 50 % 18183025
NPT4861 Individual Protein 11-beta-hydroxysteroid dehydrogenase 2 Mus musculus Inhibition < 50 % 17950610

  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 NPC470424 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
0.8876 High Similarity NPC239938
0.8764 High Similarity NPC472272
0.8723 High Similarity NPC116683
0.8696 High Similarity NPC52756
0.8602 High Similarity NPC476189
0.8556 High Similarity NPC80700
0.8539 High Similarity NPC291310
0.8526 High Similarity NPC476728
0.8511 High Similarity NPC470423
0.8485 Intermediate Similarity NPC100078
0.8478 Intermediate Similarity NPC200580
0.8469 Intermediate Similarity NPC244969
0.8469 Intermediate Similarity NPC213528
0.8404 Intermediate Similarity NPC161035
0.84 Intermediate Similarity NPC166079
0.8387 Intermediate Similarity NPC77756
0.837 Intermediate Similarity NPC476435
0.8352 Intermediate Similarity NPC476727
0.8352 Intermediate Similarity NPC476726
0.8351 Intermediate Similarity NPC253995
0.8333 Intermediate Similarity NPC477434
0.8315 Intermediate Similarity NPC164289
0.8315 Intermediate Similarity NPC102156
0.8315 Intermediate Similarity NPC148740
0.8315 Intermediate Similarity NPC100366
0.8315 Intermediate Similarity NPC242771
0.8315 Intermediate Similarity NPC311642
0.83 Intermediate Similarity NPC473701
0.83 Intermediate Similarity NPC473526
0.8298 Intermediate Similarity NPC474065
0.8283 Intermediate Similarity NPC470172
0.828 Intermediate Similarity NPC61688
0.8247 Intermediate Similarity NPC471241
0.8242 Intermediate Similarity NPC473350
0.8229 Intermediate Similarity NPC305808
0.8222 Intermediate Similarity NPC2572
0.8222 Intermediate Similarity NPC29342
0.8218 Intermediate Similarity NPC306776
0.8202 Intermediate Similarity NPC58631
0.82 Intermediate Similarity NPC471253
0.82 Intermediate Similarity NPC473406
0.8182 Intermediate Similarity NPC178853
0.8172 Intermediate Similarity NPC471221
0.8172 Intermediate Similarity NPC226491
0.8172 Intermediate Similarity NPC477614
0.8144 Intermediate Similarity NPC193785
0.8132 Intermediate Similarity NPC471044
0.8132 Intermediate Similarity NPC473336
0.8125 Intermediate Similarity NPC329713
0.8125 Intermediate Similarity NPC217567
0.8125 Intermediate Similarity NPC76136
0.8125 Intermediate Similarity NPC477495
0.8119 Intermediate Similarity NPC327093
0.8119 Intermediate Similarity NPC88469
0.8111 Intermediate Similarity NPC317066
0.8111 Intermediate Similarity NPC121121
0.809 Intermediate Similarity NPC470609
0.809 Intermediate Similarity NPC134227
0.8085 Intermediate Similarity NPC67653
0.8085 Intermediate Similarity NPC471459
0.8085 Intermediate Similarity NPC477443
0.8085 Intermediate Similarity NPC477440
0.8065 Intermediate Similarity NPC5943
0.8043 Intermediate Similarity NPC476715
0.8043 Intermediate Similarity NPC266651
0.8043 Intermediate Similarity NPC477445
0.8041 Intermediate Similarity NPC287354
0.8041 Intermediate Similarity NPC62407
0.8041 Intermediate Similarity NPC17336
0.8022 Intermediate Similarity NPC15091
0.8022 Intermediate Similarity NPC477285
0.8022 Intermediate Similarity NPC111582
0.8021 Intermediate Similarity NPC472231
0.8021 Intermediate Similarity NPC472237
0.8021 Intermediate Similarity NPC472232
0.8021 Intermediate Similarity NPC472238
0.802 Intermediate Similarity NPC140723
0.8019 Intermediate Similarity NPC97002
0.8 Intermediate Similarity NPC185529
0.8 Intermediate Similarity NPC477433
0.8 Intermediate Similarity NPC477444
0.8 Intermediate Similarity NPC472146
0.8 Intermediate Similarity NPC477442
0.798 Intermediate Similarity NPC472144
0.798 Intermediate Similarity NPC211087
0.7979 Intermediate Similarity NPC33398
0.7978 Intermediate Similarity NPC320144
0.7978 Intermediate Similarity NPC80891
0.7978 Intermediate Similarity NPC201276
0.7978 Intermediate Similarity NPC476176
0.7959 Intermediate Similarity NPC475785
0.7957 Intermediate Similarity NPC92139
0.7957 Intermediate Similarity NPC155531
0.7957 Intermediate Similarity NPC131365
0.7957 Intermediate Similarity NPC215968
0.7957 Intermediate Similarity NPC474448
0.7957 Intermediate Similarity NPC476717
0.7938 Intermediate Similarity NPC206878
0.7935 Intermediate Similarity NPC473299
0.7921 Intermediate Similarity NPC471254
0.7917 Intermediate Similarity NPC475878
0.7917 Intermediate Similarity NPC473066
0.7912 Intermediate Similarity NPC61107
0.7912 Intermediate Similarity NPC477286
0.7912 Intermediate Similarity NPC289486
0.7912 Intermediate Similarity NPC286719
0.79 Intermediate Similarity NPC108371
0.7895 Intermediate Similarity NPC24705
0.7895 Intermediate Similarity NPC56962
0.7889 Intermediate Similarity NPC472853
0.7889 Intermediate Similarity NPC125366
0.7889 Intermediate Similarity NPC474714
0.7879 Intermediate Similarity NPC472273
0.7879 Intermediate Similarity NPC472145
0.7872 Intermediate Similarity NPC470920
0.7872 Intermediate Similarity NPC263802
0.787 Intermediate Similarity NPC49492
0.787 Intermediate Similarity NPC266728
0.7865 Intermediate Similarity NPC476732
0.7865 Intermediate Similarity NPC471045
0.7865 Intermediate Similarity NPC224802
0.7865 Intermediate Similarity NPC34046
0.7865 Intermediate Similarity NPC171426
0.7865 Intermediate Similarity NPC324700
0.7865 Intermediate Similarity NPC185465
0.7865 Intermediate Similarity NPC80089
0.7865 Intermediate Similarity NPC199965
0.7864 Intermediate Similarity NPC215408
0.7857 Intermediate Similarity NPC470031
0.7835 Intermediate Similarity NPC182740
0.7835 Intermediate Similarity NPC211845
0.7835 Intermediate Similarity NPC122083
0.7835 Intermediate Similarity NPC256104
0.783 Intermediate Similarity NPC473062
0.7826 Intermediate Similarity NPC217559
0.7826 Intermediate Similarity NPC292458
0.7826 Intermediate Similarity NPC69953
0.7826 Intermediate Similarity NPC327451
0.7826 Intermediate Similarity NPC268578
0.7822 Intermediate Similarity NPC298266
0.7822 Intermediate Similarity NPC253886
0.7822 Intermediate Similarity NPC259654
0.7822 Intermediate Similarity NPC121218
0.7816 Intermediate Similarity NPC215030
0.7816 Intermediate Similarity NPC55508
0.7812 Intermediate Similarity NPC470114
0.7802 Intermediate Similarity NPC475743
0.7802 Intermediate Similarity NPC190940
0.7802 Intermediate Similarity NPC469745
0.7802 Intermediate Similarity NPC12933
0.7789 Intermediate Similarity NPC191221
0.7788 Intermediate Similarity NPC59530
0.7778 Intermediate Similarity NPC245029
0.7778 Intermediate Similarity NPC235109
0.7778 Intermediate Similarity NPC200054
0.7778 Intermediate Similarity NPC31302
0.7778 Intermediate Similarity NPC470116
0.7778 Intermediate Similarity NPC470115
0.7778 Intermediate Similarity NPC29410
0.7778 Intermediate Similarity NPC475765
0.7778 Intermediate Similarity NPC163685
0.7778 Intermediate Similarity NPC79193
0.7767 Intermediate Similarity NPC29705
0.7767 Intermediate Similarity NPC471293
0.7767 Intermediate Similarity NPC470167
0.7766 Intermediate Similarity NPC477283
0.7766 Intermediate Similarity NPC472745
0.7766 Intermediate Similarity NPC64862
0.7757 Intermediate Similarity NPC477489
0.7753 Intermediate Similarity NPC307865
0.7753 Intermediate Similarity NPC477919
0.7753 Intermediate Similarity NPC317913
0.7753 Intermediate Similarity NPC180199
0.7753 Intermediate Similarity NPC207010
0.7745 Intermediate Similarity NPC170615
0.7742 Intermediate Similarity NPC219535
0.7742 Intermediate Similarity NPC50438
0.7742 Intermediate Similarity NPC65133
0.7742 Intermediate Similarity NPC237938
0.7727 Intermediate Similarity NPC155441
0.7717 Intermediate Similarity NPC477935
0.7717 Intermediate Similarity NPC154043
0.7717 Intermediate Similarity NPC60018
0.7717 Intermediate Similarity NPC202688
0.7714 Intermediate Similarity NPC475319
0.7714 Intermediate Similarity NPC92890
0.7714 Intermediate Similarity NPC316930
0.7714 Intermediate Similarity NPC202898
0.7706 Intermediate Similarity NPC475490
0.77 Intermediate Similarity NPC253586
0.7692 Intermediate Similarity NPC477851
0.7692 Intermediate Similarity NPC472943
0.7692 Intermediate Similarity NPC472951
0.7685 Intermediate Similarity NPC962
0.7684 Intermediate Similarity NPC202937
0.7677 Intermediate Similarity NPC98639
0.7677 Intermediate Similarity NPC82633
0.7677 Intermediate Similarity NPC215570
0.767 Intermediate Similarity NPC107385
0.767 Intermediate Similarity NPC277074

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470424 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
0.7865 Intermediate Similarity NPD6697 Approved
0.7865 Intermediate Similarity NPD6118 Approved
0.7865 Intermediate Similarity NPD6115 Approved
0.7865 Intermediate Similarity NPD6114 Approved
0.7767 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD6116 Phase 1
0.7647 Intermediate Similarity NPD1700 Approved
0.764 Intermediate Similarity NPD6117 Approved
0.7528 Intermediate Similarity NPD3702 Approved
0.7528 Intermediate Similarity NPD3703 Phase 2
0.7416 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD6008 Approved
0.7222 Intermediate Similarity NPD7320 Approved
0.7207 Intermediate Similarity NPD4632 Approved
0.7196 Intermediate Similarity NPD6675 Approved
0.7196 Intermediate Similarity NPD7128 Approved
0.7196 Intermediate Similarity NPD6402 Approved
0.7196 Intermediate Similarity NPD5739 Approved
0.7191 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD5777 Approved
0.7156 Intermediate Similarity NPD6373 Approved
0.7156 Intermediate Similarity NPD6372 Approved
0.7128 Intermediate Similarity NPD6928 Phase 2
0.7079 Intermediate Similarity NPD4245 Approved
0.7079 Intermediate Similarity NPD4244 Approved
0.7064 Intermediate Similarity NPD6881 Approved
0.7064 Intermediate Similarity NPD6899 Approved
0.7064 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD7492 Approved
0.703 Intermediate Similarity NPD8034 Phase 2
0.703 Intermediate Similarity NPD8035 Phase 2
0.7027 Intermediate Similarity NPD6650 Approved
0.7027 Intermediate Similarity NPD6649 Approved
0.6983 Remote Similarity NPD6059 Approved
0.6983 Remote Similarity NPD6319 Approved
0.6983 Remote Similarity NPD6054 Approved
0.6975 Remote Similarity NPD6616 Approved
0.6972 Remote Similarity NPD5701 Approved
0.6972 Remote Similarity NPD5697 Approved
0.6966 Remote Similarity NPD3698 Phase 2
0.6966 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6964 Remote Similarity NPD8297 Approved
0.6937 Remote Similarity NPD7290 Approved
0.6937 Remote Similarity NPD6883 Approved
0.6937 Remote Similarity NPD7102 Approved
0.6917 Remote Similarity NPD8293 Discontinued
0.6917 Remote Similarity NPD7078 Approved
0.6909 Remote Similarity NPD6011 Approved
0.6897 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6869 Approved
0.6875 Remote Similarity NPD8130 Phase 1
0.6875 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6847 Approved
0.6875 Remote Similarity NPD6617 Approved
0.687 Remote Similarity NPD6009 Approved
0.6864 Remote Similarity NPD6370 Approved
0.686 Remote Similarity NPD7736 Approved
0.6854 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6854 Remote Similarity NPD5360 Phase 3
0.6847 Remote Similarity NPD6014 Approved
0.6847 Remote Similarity NPD6013 Approved
0.6847 Remote Similarity NPD6012 Approved
0.6833 Remote Similarity NPD7507 Approved
0.6814 Remote Similarity NPD6882 Approved
0.6813 Remote Similarity NPD6081 Approved
0.6807 Remote Similarity NPD7604 Phase 2
0.6796 Remote Similarity NPD6399 Phase 3
0.6796 Remote Similarity NPD8171 Discontinued
0.678 Remote Similarity NPD5983 Phase 2
0.678 Remote Similarity NPD6016 Approved
0.678 Remote Similarity NPD6015 Approved
0.6778 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6768 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6723 Remote Similarity NPD5988 Approved
0.6703 Remote Similarity NPD4789 Approved
0.6698 Remote Similarity NPD4755 Approved
0.6694 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6639 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6637 Remote Similarity NPD4634 Approved
0.6636 Remote Similarity NPD7638 Approved
0.6636 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6636 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6629 Remote Similarity NPD4224 Phase 2
0.6609 Remote Similarity NPD8133 Approved
0.6585 Remote Similarity NPD6033 Approved
0.6574 Remote Similarity NPD5286 Approved
0.6574 Remote Similarity NPD4700 Approved
0.6574 Remote Similarity NPD7639 Approved
0.6574 Remote Similarity NPD5285 Approved
0.6574 Remote Similarity NPD7640 Approved
0.6574 Remote Similarity NPD4696 Approved
0.6562 Remote Similarity NPD4802 Phase 2
0.6562 Remote Similarity NPD4238 Approved
0.6549 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6542 Remote Similarity NPD6083 Phase 2
0.6542 Remote Similarity NPD6084 Phase 2
0.6531 Remote Similarity NPD1780 Approved
0.6531 Remote Similarity NPD1779 Approved
0.6525 Remote Similarity NPD6335 Approved
0.6518 Remote Similarity NPD6412 Phase 2
0.6514 Remote Similarity NPD5223 Approved
0.6505 Remote Similarity NPD5328 Approved
0.6496 Remote Similarity NPD6274 Approved
0.6476 Remote Similarity NPD4202 Approved
0.6471 Remote Similarity NPD7101 Approved
0.6471 Remote Similarity NPD7100 Approved
0.6455 Remote Similarity NPD5211 Phase 2
0.6455 Remote Similarity NPD5225 Approved
0.6455 Remote Similarity NPD5226 Approved
0.6455 Remote Similarity NPD5224 Approved
0.6455 Remote Similarity NPD4633 Approved
0.6455 Remote Similarity NPD7632 Discontinued
0.6452 Remote Similarity NPD4758 Discontinued
0.6441 Remote Similarity NPD6317 Approved
0.6422 Remote Similarity NPD8418 Phase 2
0.6404 Remote Similarity NPD4061 Clinical (unspecified phase)
0.64 Remote Similarity NPD3670 Clinical (unspecified phase)
0.64 Remote Similarity NPD3669 Approved
0.64 Remote Similarity NPD4788 Approved
0.6396 Remote Similarity NPD5174 Approved
0.6396 Remote Similarity NPD5175 Approved
0.6396 Remote Similarity NPD4754 Approved
0.6392 Remote Similarity NPD5364 Discontinued
0.6392 Remote Similarity NPD3671 Phase 1
0.6387 Remote Similarity NPD6313 Approved
0.6387 Remote Similarity NPD6314 Approved
0.6381 Remote Similarity NPD6079 Approved
0.6379 Remote Similarity NPD6053 Discontinued
0.6364 Remote Similarity NPD6909 Approved
0.6364 Remote Similarity NPD6908 Approved
0.6364 Remote Similarity NPD6921 Approved
0.6356 Remote Similarity NPD6940 Discontinued
0.6344 Remote Similarity NPD4787 Phase 1
0.6339 Remote Similarity NPD5141 Approved
0.633 Remote Similarity NPD5696 Approved
0.6322 Remote Similarity NPD3198 Approved
0.6303 Remote Similarity NPD7115 Discovery
0.6303 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4697 Phase 3
0.6283 Remote Similarity NPD4767 Approved
0.6283 Remote Similarity NPD4768 Approved
0.6262 Remote Similarity NPD6001 Approved
0.626 Remote Similarity NPD6067 Discontinued
0.625 Remote Similarity NPD7327 Approved
0.625 Remote Similarity NPD7328 Approved
0.625 Remote Similarity NPD6903 Approved
0.6239 Remote Similarity NPD7902 Approved
0.6214 Remote Similarity NPD6684 Approved
0.6214 Remote Similarity NPD7334 Approved
0.6214 Remote Similarity NPD3618 Phase 1
0.6214 Remote Similarity NPD7146 Approved
0.6214 Remote Similarity NPD6409 Approved
0.6214 Remote Similarity NPD7521 Approved
0.6214 Remote Similarity NPD5330 Approved
0.6207 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6204 Remote Similarity NPD7991 Discontinued
0.6204 Remote Similarity NPD5695 Phase 3
0.6198 Remote Similarity NPD7516 Approved
0.6176 Remote Similarity NPD4786 Approved
0.6174 Remote Similarity NPD4730 Approved
0.6174 Remote Similarity NPD5128 Approved
0.6174 Remote Similarity NPD4729 Approved
0.6148 Remote Similarity NPD8294 Approved
0.6148 Remote Similarity NPD8377 Approved
0.6147 Remote Similarity NPD5221 Approved
0.6147 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6147 Remote Similarity NPD5222 Approved
0.6139 Remote Similarity NPD6435 Approved
0.6129 Remote Similarity NPD8328 Phase 3
0.6111 Remote Similarity NPD7748 Approved
0.6098 Remote Similarity NPD8380 Approved
0.6098 Remote Similarity NPD8379 Approved
0.6098 Remote Similarity NPD8335 Approved
0.6098 Remote Similarity NPD8296 Approved
0.6098 Remote Similarity NPD8378 Approved
0.6098 Remote Similarity NPD8033 Approved
0.6095 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6091 Remote Similarity NPD5173 Approved
0.6083 Remote Similarity NPD6868 Approved
0.6075 Remote Similarity NPD5284 Approved
0.6075 Remote Similarity NPD5281 Approved
0.6075 Remote Similarity NPD7515 Phase 2
0.6068 Remote Similarity NPD5247 Approved
0.6068 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6068 Remote Similarity NPD5251 Approved
0.6068 Remote Similarity NPD5250 Approved
0.6068 Remote Similarity NPD5249 Phase 3
0.6068 Remote Similarity NPD6371 Approved
0.6068 Remote Similarity NPD5135 Approved
0.6068 Remote Similarity NPD5248 Approved
0.6068 Remote Similarity NPD5169 Approved
0.6058 Remote Similarity NPD6098 Approved
0.6044 Remote Similarity NPD7909 Approved
0.6038 Remote Similarity NPD6904 Approved
0.6038 Remote Similarity NPD6673 Approved
0.6038 Remote Similarity NPD4753 Phase 2

Structure

External Identifiers

PubChem CID   70690128
ChEMBL   CHEMBL2035571
ZINC  

Physicochemical Properties

Molecular Weight:  504.35
ALogP:  0.2256
MLogP:  4.1
XLogP:  3.718
# Rotatable Bonds:  14
Polar Surface Area:  104.06
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  36

Download Data

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Structure MOL file  
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Biological Activities  
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