Natural Product: NPC470423

Natural Product ID:  NPC470423
Common Name:   Caloncobalactone A
IUPAC Name:  
Synonyms:   caloncobalactone A
Molecular Formula:   C30H46O5
Standard InCHIKey:  QQKZTKCCQBXMPH-ZNAZFANWSA-N
Standard InCHI:  InChI=1S/C30H46O5/c1-17-7-10-22(26(4,5)34)35-24(33)30-15-18(31)23(17)27(30,6)13-14-29-16-28(29)12-11-21(32)25(2,3)19(28)8-9-20(29)30/h17-20,22-23,31,34H,7-16H2,1-6H3/t17-,18-,19+,20-,22+,23+,27-,28-,29+,30+/m1/s1
Canonical SMILES:  C[C@@H]1CC[C@H](OC(=O)[C@]23[C@]([C@@H]1[C@H](O)C2)(C)CC[C@@]12[C@H]3CC[C@@H]3[C@]2(C1)CCC(=O)C3(C)C)C(O)(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
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 % 18611050
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 % 25066952
NPT4861 Individual Protein 11-beta-hydroxysteroid dehydrogenase 2 Mus musculus Inhibition < 50 % 24387703

  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 NPC470423 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
0.8696 High Similarity NPC52756
0.8587 High Similarity NPC77756
0.8556 High Similarity NPC474448
0.8556 High Similarity NPC472272
0.8556 High Similarity NPC472745
0.8511 High Similarity NPC470424
0.8506 High Similarity NPC472853
0.8427 Intermediate Similarity NPC259173
0.8404 Intermediate Similarity NPC476189
0.8333 Intermediate Similarity NPC116683
0.8316 Intermediate Similarity NPC477495
0.8276 Intermediate Similarity NPC476732
0.8276 Intermediate Similarity NPC199965
0.8261 Intermediate Similarity NPC239938
0.8247 Intermediate Similarity NPC471241
0.8229 Intermediate Similarity NPC215570
0.8229 Intermediate Similarity NPC470031
0.8222 Intermediate Similarity NPC472744
0.8202 Intermediate Similarity NPC77311
0.8161 Intermediate Similarity NPC180199
0.8161 Intermediate Similarity NPC477919
0.8152 Intermediate Similarity NPC476727
0.8152 Intermediate Similarity NPC80700
0.8152 Intermediate Similarity NPC476726
0.8152 Intermediate Similarity NPC92139
0.8144 Intermediate Similarity NPC476728
0.8125 Intermediate Similarity NPC206878
0.8119 Intermediate Similarity NPC100078
0.8111 Intermediate Similarity NPC317066
0.8111 Intermediate Similarity NPC477935
0.8111 Intermediate Similarity NPC100366
0.8111 Intermediate Similarity NPC242771
0.8111 Intermediate Similarity NPC311642
0.8111 Intermediate Similarity NPC477936
0.8111 Intermediate Similarity NPC164289
0.81 Intermediate Similarity NPC213528
0.81 Intermediate Similarity NPC470172
0.81 Intermediate Similarity NPC244969
0.809 Intermediate Similarity NPC470609
0.8085 Intermediate Similarity NPC24705
0.8085 Intermediate Similarity NPC56962
0.8065 Intermediate Similarity NPC202937
0.8041 Intermediate Similarity NPC17336
0.8039 Intermediate Similarity NPC166079
0.8022 Intermediate Similarity NPC268578
0.8022 Intermediate Similarity NPC217559
0.8022 Intermediate Similarity NPC292458
0.8021 Intermediate Similarity NPC161035
0.802 Intermediate Similarity NPC471253
0.802 Intermediate Similarity NPC473406
0.8 Intermediate Similarity NPC178853
0.8 Intermediate Similarity NPC469745
0.8 Intermediate Similarity NPC12933
0.7981 Intermediate Similarity NPC227879
0.7981 Intermediate Similarity NPC208333
0.7978 Intermediate Similarity NPC31302
0.7978 Intermediate Similarity NPC245029
0.7978 Intermediate Similarity NPC472310
0.7955 Intermediate Similarity NPC264602
0.7955 Intermediate Similarity NPC474404
0.7941 Intermediate Similarity NPC310586
0.7935 Intermediate Similarity NPC473336
0.7935 Intermediate Similarity NPC471044
0.7931 Intermediate Similarity NPC179858
0.7925 Intermediate Similarity NPC477489
0.7921 Intermediate Similarity NPC15396
0.7917 Intermediate Similarity NPC473066
0.7912 Intermediate Similarity NPC121121
0.7912 Intermediate Similarity NPC102156
0.7912 Intermediate Similarity NPC148740
0.79 Intermediate Similarity NPC41843
0.7895 Intermediate Similarity NPC200580
0.7889 Intermediate Similarity NPC477851
0.7885 Intermediate Similarity NPC316930
0.7879 Intermediate Similarity NPC472273
0.7865 Intermediate Similarity NPC471045
0.7865 Intermediate Similarity NPC185465
0.7864 Intermediate Similarity NPC306776
0.7857 Intermediate Similarity NPC62407
0.7857 Intermediate Similarity NPC287354
0.785 Intermediate Similarity NPC97002
0.7849 Intermediate Similarity NPC266651
0.7843 Intermediate Similarity NPC34562
0.7835 Intermediate Similarity NPC472232
0.7835 Intermediate Similarity NPC472231
0.783 Intermediate Similarity NPC473062
0.7826 Intermediate Similarity NPC472847
0.7816 Intermediate Similarity NPC472854
0.7812 Intermediate Similarity NPC472146
0.7812 Intermediate Similarity NPC185529
0.781 Intermediate Similarity NPC321661
0.781 Intermediate Similarity NPC320475
0.7789 Intermediate Similarity NPC477614
0.7789 Intermediate Similarity NPC226491
0.7789 Intermediate Similarity NPC476379
0.7778 Intermediate Similarity NPC80891
0.7778 Intermediate Similarity NPC235109
0.7778 Intermediate Similarity NPC201276
0.7778 Intermediate Similarity NPC320144
0.7778 Intermediate Similarity NPC476176
0.7778 Intermediate Similarity NPC163685
0.7767 Intermediate Similarity NPC327093
0.7766 Intermediate Similarity NPC302111
0.7753 Intermediate Similarity NPC171658
0.7745 Intermediate Similarity NPC471254
0.7742 Intermediate Similarity NPC291310
0.7723 Intermediate Similarity NPC20028
0.7717 Intermediate Similarity NPC61107
0.7717 Intermediate Similarity NPC289486
0.7714 Intermediate Similarity NPC472079
0.7708 Intermediate Similarity NPC61688
0.7708 Intermediate Similarity NPC471459
0.7708 Intermediate Similarity NPC67653
0.7692 Intermediate Similarity NPC215408
0.7684 Intermediate Similarity NPC470920
0.7684 Intermediate Similarity NPC5943
0.7684 Intermediate Similarity NPC263802
0.7677 Intermediate Similarity NPC82633
0.7677 Intermediate Similarity NPC305808
0.767 Intermediate Similarity NPC277074
0.767 Intermediate Similarity NPC107385
0.767 Intermediate Similarity NPC209298
0.7667 Intermediate Similarity NPC80089
0.7667 Intermediate Similarity NPC171426
0.7667 Intermediate Similarity NPC34046
0.7667 Intermediate Similarity NPC324700
0.7667 Intermediate Similarity NPC224802
0.7664 Intermediate Similarity NPC469824
0.766 Intermediate Similarity NPC476715
0.766 Intermediate Similarity NPC473350
0.7653 Intermediate Similarity NPC472237
0.7653 Intermediate Similarity NPC472238
0.7647 Intermediate Similarity NPC253886
0.7647 Intermediate Similarity NPC252614
0.7647 Intermediate Similarity NPC477172
0.7647 Intermediate Similarity NPC121218
0.764 Intermediate Similarity NPC471046
0.7634 Intermediate Similarity NPC327451
0.7634 Intermediate Similarity NPC111582
0.7634 Intermediate Similarity NPC477285
0.7624 Intermediate Similarity NPC253995
0.7619 Intermediate Similarity NPC203974
0.7614 Intermediate Similarity NPC472945
0.7614 Intermediate Similarity NPC472944
0.7609 Intermediate Similarity NPC58631
0.7604 Intermediate Similarity NPC255176
0.7604 Intermediate Similarity NPC33398
0.7604 Intermediate Similarity NPC476435
0.76 Intermediate Similarity NPC29410
0.76 Intermediate Similarity NPC200054
0.76 Intermediate Similarity NPC156377
0.76 Intermediate Similarity NPC475785
0.7596 Intermediate Similarity NPC470167
0.7596 Intermediate Similarity NPC29705
0.7596 Intermediate Similarity NPC301787
0.7593 Intermediate Similarity NPC477492
0.7586 Intermediate Similarity NPC469940
0.7579 Intermediate Similarity NPC215968
0.7579 Intermediate Similarity NPC131365
0.7579 Intermediate Similarity NPC155531
0.7573 Intermediate Similarity NPC310031
0.7573 Intermediate Similarity NPC170615
0.7573 Intermediate Similarity NPC80191
0.7573 Intermediate Similarity NPC473928
0.7556 Intermediate Similarity NPC214030
0.7556 Intermediate Similarity NPC83108
0.7556 Intermediate Similarity NPC477918
0.7556 Intermediate Similarity NPC207010
0.7556 Intermediate Similarity NPC475031
0.7556 Intermediate Similarity NPC317913
0.7553 Intermediate Similarity NPC219535
0.7553 Intermediate Similarity NPC473299
0.7553 Intermediate Similarity NPC50438
0.7553 Intermediate Similarity NPC237938
0.7553 Intermediate Similarity NPC319909
0.7553 Intermediate Similarity NPC477434
0.7549 Intermediate Similarity NPC218383
0.7549 Intermediate Similarity NPC167974
0.7547 Intermediate Similarity NPC475319
0.7547 Intermediate Similarity NPC202898
0.7547 Intermediate Similarity NPC92890
0.7547 Intermediate Similarity NPC211224
0.7528 Intermediate Similarity NPC21220
0.7528 Intermediate Similarity NPC27349
0.7528 Intermediate Similarity NPC472311
0.7528 Intermediate Similarity NPC24014
0.7528 Intermediate Similarity NPC125767
0.7527 Intermediate Similarity NPC202688
0.7527 Intermediate Similarity NPC475388
0.7527 Intermediate Similarity NPC60018
0.7527 Intermediate Similarity NPC154043
0.7527 Intermediate Similarity NPC286719
0.7527 Intermediate Similarity NPC477286
0.7524 Intermediate Similarity NPC222833
0.7524 Intermediate Similarity NPC470587
0.75 Intermediate Similarity NPC122811
0.75 Intermediate Similarity NPC98639
0.75 Intermediate Similarity NPC310766
0.75 Intermediate Similarity NPC470281
0.75 Intermediate Similarity NPC140723

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470423 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
0.7727 Intermediate Similarity NPD3702 Approved
0.7667 Intermediate Similarity NPD6114 Approved
0.7667 Intermediate Similarity NPD6115 Approved
0.7667 Intermediate Similarity NPD6697 Approved
0.7667 Intermediate Similarity NPD6118 Approved
0.7596 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD5777 Approved
0.7556 Intermediate Similarity NPD6116 Phase 1
0.7471 Intermediate Similarity NPD4244 Approved
0.7471 Intermediate Similarity NPD4245 Approved
0.7444 Intermediate Similarity NPD6117 Approved
0.7416 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD3698 Phase 2
0.7333 Intermediate Similarity NPD3703 Phase 2
0.7191 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD6081 Approved
0.7143 Intermediate Similarity NPD1700 Approved
0.7079 Intermediate Similarity NPD4789 Approved
0.7054 Intermediate Similarity NPD4632 Approved
0.7011 Intermediate Similarity NPD4224 Phase 2
0.6966 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7604 Phase 2
0.6909 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6897 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6402 Approved
0.6881 Remote Similarity NPD5739 Approved
0.6881 Remote Similarity NPD6008 Approved
0.6881 Remote Similarity NPD7128 Approved
0.6881 Remote Similarity NPD6675 Approved
0.6863 Remote Similarity NPD8035 Phase 2
0.6863 Remote Similarity NPD8034 Phase 2
0.6854 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6854 Remote Similarity NPD5360 Phase 3
0.6847 Remote Similarity NPD6373 Approved
0.6847 Remote Similarity NPD6372 Approved
0.6838 Remote Similarity NPD6319 Approved
0.6818 Remote Similarity NPD6412 Phase 2
0.6814 Remote Similarity NPD8297 Approved
0.6796 Remote Similarity NPD6399 Phase 3
0.6771 Remote Similarity NPD6928 Phase 2
0.6757 Remote Similarity NPD7320 Approved
0.6757 Remote Similarity NPD6881 Approved
0.6757 Remote Similarity NPD6899 Approved
0.6754 Remote Similarity NPD8133 Approved
0.6735 Remote Similarity NPD4788 Approved
0.6726 Remote Similarity NPD6649 Approved
0.6726 Remote Similarity NPD6650 Approved
0.6724 Remote Similarity NPD6009 Approved
0.6698 Remote Similarity NPD6084 Phase 2
0.6698 Remote Similarity NPD6083 Phase 2
0.6694 Remote Similarity NPD7507 Approved
0.6667 Remote Similarity NPD5697 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6639 Remote Similarity NPD5983 Phase 2
0.6637 Remote Similarity NPD7102 Approved
0.6637 Remote Similarity NPD7290 Approved
0.6637 Remote Similarity NPD6883 Approved
0.6635 Remote Similarity NPD8171 Discontinued
0.6612 Remote Similarity NPD7492 Approved
0.6607 Remote Similarity NPD6011 Approved
0.66 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6585 Remote Similarity NPD7736 Approved
0.6579 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6847 Approved
0.6579 Remote Similarity NPD8130 Phase 1
0.6579 Remote Similarity NPD6869 Approved
0.6579 Remote Similarity NPD6617 Approved
0.6562 Remote Similarity NPD4802 Phase 2
0.6562 Remote Similarity NPD4238 Approved
0.6557 Remote Similarity NPD6336 Discontinued
0.6557 Remote Similarity NPD6616 Approved
0.6555 Remote Similarity NPD6054 Approved
0.6555 Remote Similarity NPD6059 Approved
0.6549 Remote Similarity NPD6012 Approved
0.6549 Remote Similarity NPD6013 Approved
0.6549 Remote Similarity NPD6014 Approved
0.6532 Remote Similarity NPD7319 Approved
0.6522 Remote Similarity NPD6882 Approved
0.6509 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6504 Remote Similarity NPD8293 Discontinued
0.6504 Remote Similarity NPD7078 Approved
0.6496 Remote Similarity NPD6940 Discontinued
0.6486 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6486 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6481 Remote Similarity NPD5696 Approved
0.6481 Remote Similarity NPD7638 Approved
0.6452 Remote Similarity NPD4758 Discontinued
0.6446 Remote Similarity NPD6370 Approved
0.6422 Remote Similarity NPD7640 Approved
0.6422 Remote Similarity NPD7639 Approved
0.6408 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6404 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6404 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6392 Remote Similarity NPD5364 Discontinued
0.6392 Remote Similarity NPD3671 Phase 1
0.6389 Remote Similarity NPD4755 Approved
0.6373 Remote Similarity NPD7146 Approved
0.6373 Remote Similarity NPD5330 Approved
0.6373 Remote Similarity NPD7521 Approved
0.6373 Remote Similarity NPD6684 Approved
0.6373 Remote Similarity NPD7334 Approved
0.6373 Remote Similarity NPD6409 Approved
0.6364 Remote Similarity NPD6015 Approved
0.6364 Remote Similarity NPD6016 Approved
0.6364 Remote Similarity NPD1779 Approved
0.6364 Remote Similarity NPD1780 Approved
0.6355 Remote Similarity NPD5695 Phase 3
0.6348 Remote Similarity NPD4634 Approved
0.6344 Remote Similarity NPD4787 Phase 1
0.6322 Remote Similarity NPD3198 Approved
0.6311 Remote Similarity NPD5988 Approved
0.6306 Remote Similarity NPD7632 Discontinued
0.6303 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6303 Remote Similarity NPD7115 Discovery
0.6273 Remote Similarity NPD5285 Approved
0.6273 Remote Similarity NPD5286 Approved
0.6273 Remote Similarity NPD8418 Phase 2
0.6273 Remote Similarity NPD4700 Approved
0.6273 Remote Similarity NPD4696 Approved
0.625 Remote Similarity NPD6335 Approved
0.625 Remote Similarity NPD6903 Approved
0.6239 Remote Similarity NPD6053 Discontinued
0.6238 Remote Similarity NPD3669 Approved
0.6238 Remote Similarity NPD3670 Clinical (unspecified phase)
0.623 Remote Similarity NPD6921 Approved
0.6226 Remote Similarity NPD5281 Approved
0.6226 Remote Similarity NPD5284 Approved
0.6218 Remote Similarity NPD6274 Approved
0.6216 Remote Similarity NPD5223 Approved
0.6214 Remote Similarity NPD6098 Approved
0.6207 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6371 Approved
0.6198 Remote Similarity NPD7100 Approved
0.6198 Remote Similarity NPD7101 Approved
0.619 Remote Similarity NPD5328 Approved
0.619 Remote Similarity NPD4753 Phase 2
0.619 Remote Similarity NPD6033 Approved
0.619 Remote Similarity NPD6080 Approved
0.619 Remote Similarity NPD6904 Approved
0.619 Remote Similarity NPD6673 Approved
0.6176 Remote Similarity NPD4786 Approved
0.6176 Remote Similarity NPD3133 Approved
0.6176 Remote Similarity NPD3665 Phase 1
0.6176 Remote Similarity NPD3666 Approved
0.6174 Remote Similarity NPD6686 Approved
0.6168 Remote Similarity NPD4202 Approved
0.6167 Remote Similarity NPD6317 Approved
0.6161 Remote Similarity NPD5226 Approved
0.6161 Remote Similarity NPD5211 Phase 2
0.6161 Remote Similarity NPD5225 Approved
0.6161 Remote Similarity NPD4633 Approved
0.6161 Remote Similarity NPD5224 Approved
0.6139 Remote Similarity NPD6435 Approved
0.6129 Remote Similarity NPD8328 Phase 3
0.6116 Remote Similarity NPD7328 Approved
0.6116 Remote Similarity NPD7327 Approved
0.6116 Remote Similarity NPD6314 Approved
0.6116 Remote Similarity NPD6313 Approved
0.6111 Remote Similarity NPD6001 Approved
0.6106 Remote Similarity NPD4754 Approved
0.6106 Remote Similarity NPD5174 Approved
0.6106 Remote Similarity NPD5175 Approved
0.6098 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6909 Approved
0.6098 Remote Similarity NPD6908 Approved
0.6095 Remote Similarity NPD5737 Approved
0.6095 Remote Similarity NPD6672 Approved
0.6091 Remote Similarity NPD7902 Approved
0.6075 Remote Similarity NPD6079 Approved
0.6066 Remote Similarity NPD7516 Approved
0.6055 Remote Similarity NPD5210 Approved
0.6055 Remote Similarity NPD4629 Approved
0.6053 Remote Similarity NPD5141 Approved
0.6044 Remote Similarity NPD7909 Approved
0.6016 Remote Similarity NPD8294 Approved
0.6016 Remote Similarity NPD8377 Approved
0.6 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD4697 Phase 3
0.6 Remote Similarity NPD4768 Approved
0.598 Remote Similarity NPD4223 Phase 3
0.598 Remote Similarity NPD4221 Approved
0.598 Remote Similarity NPD3667 Approved
0.5968 Remote Similarity NPD8296 Approved
0.5968 Remote Similarity NPD8335 Approved
0.5968 Remote Similarity NPD8380 Approved
0.5968 Remote Similarity NPD8379 Approved
0.5968 Remote Similarity NPD8378 Approved
0.5968 Remote Similarity NPD8033 Approved
0.5963 Remote Similarity NPD7748 Approved
0.5962 Remote Similarity NPD5329 Approved
0.5948 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5943 Remote Similarity NPD5208 Approved
0.5941 Remote Similarity NPD5368 Approved
0.5926 Remote Similarity NPD7515 Phase 2
0.5926 Remote Similarity NPD6050 Approved
0.5926 Remote Similarity NPD5693 Phase 1
0.5909 Remote Similarity NPD7991 Discontinued

Structure

External Identifiers

PubChem CID   70681710
ChEMBL   CHEMBL2035570
ZINC  

Physicochemical Properties

Molecular Weight:  486.33
ALogP:  0.3515
MLogP:  4.21
XLogP:  5.628
# Rotatable Bonds:  9
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  35

Download Data

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Biological Activities  
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