Natural Product: NPC476897

Natural Product ID:  NPC476897
Common Name:   Cordianol G
IUPAC Name:   (5R,8R,9R,10S,11R,13R,14R,17S)-17-[(E)-4-(3,3-dimethyloxiran-2-yl)-4-hydroxybut-2-en-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Synonyms:   Cordianol G
Molecular Formula:   C30H48O4
Standard InCHIKey:  AYMSZJHDIUUULH-IWYQHOHGSA-N
Standard InCHI:  InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h15,18-22,24-25,31-32H,9-14,16H2,1-8H3/b17-15+/t18-,19-,20-,21?,22+,24-,25?,28+,29-,30-/m1/s1
Canonical SMILES:  C/C(=CC(C1OC1(C)C)O)/[C@H]1CC[C@@]2([C@@H]1C[C@@H](O)[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(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
NPO6708 Cordia multispicata Species Cordiaceae Eukaryota PMID[14575428]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 43.1 % 14575428

  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 NPC476897 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 NPC274046
0.9043 High Similarity NPC198074
0.8947 High Similarity NPC174051
0.8947 High Similarity NPC67831
0.8936 High Similarity NPC262870
0.8889 High Similarity NPC469316
0.8737 High Similarity NPC473166
0.8723 High Similarity NPC229871
0.8723 High Similarity NPC469319
0.8723 High Similarity NPC32830
0.8713 High Similarity NPC75531
0.8713 High Similarity NPC149124
0.8687 High Similarity NPC473176
0.8673 High Similarity NPC474938
0.8673 High Similarity NPC474785
0.8586 High Similarity NPC303777
0.8586 High Similarity NPC471784
0.8585 High Similarity NPC317210
0.8571 High Similarity NPC471777
0.8544 High Similarity NPC131665
0.8544 High Similarity NPC9457
0.8544 High Similarity NPC255387
0.8544 High Similarity NPC473165
0.8544 High Similarity NPC471783
0.8544 High Similarity NPC144459
0.8519 High Similarity NPC140055
0.8519 High Similarity NPC167606
0.8519 High Similarity NPC286528
0.8519 High Similarity NPC20302
0.8511 High Similarity NPC469322
0.8511 High Similarity NPC241875
0.8511 High Similarity NPC90652
0.8511 High Similarity NPC469317
0.8511 High Similarity NPC469314
0.8476 Intermediate Similarity NPC76084
0.8469 Intermediate Similarity NPC469329
0.8469 Intermediate Similarity NPC180557
0.8469 Intermediate Similarity NPC473415
0.8469 Intermediate Similarity NPC37787
0.8469 Intermediate Similarity NPC30677
0.8462 Intermediate Similarity NPC472218
0.8462 Intermediate Similarity NPC472219
0.8462 Intermediate Similarity NPC472217
0.844 Intermediate Similarity NPC709
0.844 Intermediate Similarity NPC50774
0.8438 Intermediate Similarity NPC48010
0.8431 Intermediate Similarity NPC26478
0.8426 Intermediate Similarity NPC270929
0.8421 Intermediate Similarity NPC193360
0.8421 Intermediate Similarity NPC470417
0.8421 Intermediate Similarity NPC67872
0.8416 Intermediate Similarity NPC476896
0.8404 Intermediate Similarity NPC125399
0.8384 Intermediate Similarity NPC160056
0.8381 Intermediate Similarity NPC472216
0.8381 Intermediate Similarity NPC87335
0.8381 Intermediate Similarity NPC5475
0.8381 Intermediate Similarity NPC173905
0.8381 Intermediate Similarity NPC284828
0.8367 Intermediate Similarity NPC292793
0.8367 Intermediate Similarity NPC8993
0.8367 Intermediate Similarity NPC474690
0.8365 Intermediate Similarity NPC473284
0.8364 Intermediate Similarity NPC473274
0.8364 Intermediate Similarity NPC264954
0.8351 Intermediate Similarity NPC473998
0.8351 Intermediate Similarity NPC475806
0.8351 Intermediate Similarity NPC473167
0.835 Intermediate Similarity NPC72255
0.8349 Intermediate Similarity NPC470493
0.8349 Intermediate Similarity NPC470492
0.8349 Intermediate Similarity NPC183580
0.8349 Intermediate Similarity NPC312824
0.8333 Intermediate Similarity NPC185530
0.8333 Intermediate Similarity NPC31985
0.8333 Intermediate Similarity NPC473424
0.8333 Intermediate Similarity NPC477915
0.8333 Intermediate Similarity NPC474245
0.8333 Intermediate Similarity NPC309603
0.8333 Intermediate Similarity NPC284915
0.8333 Intermediate Similarity NPC473999
0.8333 Intermediate Similarity NPC1015
0.8318 Intermediate Similarity NPC207251
0.83 Intermediate Similarity NPC126815
0.8298 Intermediate Similarity NPC471224
0.8288 Intermediate Similarity NPC474370
0.8283 Intermediate Similarity NPC473170
0.8283 Intermediate Similarity NPC84383
0.8283 Intermediate Similarity NPC279974
0.8283 Intermediate Similarity NPC271195
0.8283 Intermediate Similarity NPC180950
0.8273 Intermediate Similarity NPC329736
0.8269 Intermediate Similarity NPC149047
0.8269 Intermediate Similarity NPC166607
0.8265 Intermediate Similarity NPC12722
0.8265 Intermediate Similarity NPC474736
0.8265 Intermediate Similarity NPC307776
0.8265 Intermediate Similarity NPC109305
0.8252 Intermediate Similarity NPC324001
0.8252 Intermediate Similarity NPC475050
0.8252 Intermediate Similarity NPC247957
0.8252 Intermediate Similarity NPC222153
0.8252 Intermediate Similarity NPC249187
0.8252 Intermediate Similarity NPC112009
0.8241 Intermediate Similarity NPC122056
0.8235 Intermediate Similarity NPC469327
0.8235 Intermediate Similarity NPC115899
0.8218 Intermediate Similarity NPC476895
0.8218 Intermediate Similarity NPC119036
0.8214 Intermediate Similarity NPC67569
0.8214 Intermediate Similarity NPC473256
0.8214 Intermediate Similarity NPC470878
0.8208 Intermediate Similarity NPC475065
0.8208 Intermediate Similarity NPC214644
0.82 Intermediate Similarity NPC471463
0.82 Intermediate Similarity NPC249954
0.82 Intermediate Similarity NPC327788
0.82 Intermediate Similarity NPC117133
0.8198 Intermediate Similarity NPC61520
0.8191 Intermediate Similarity NPC59453
0.8191 Intermediate Similarity NPC185568
0.8191 Intermediate Similarity NPC221758
0.8191 Intermediate Similarity NPC474047
0.8191 Intermediate Similarity NPC473157
0.819 Intermediate Similarity NPC475060
0.819 Intermediate Similarity NPC477916
0.819 Intermediate Similarity NPC330011
0.819 Intermediate Similarity NPC329048
0.819 Intermediate Similarity NPC475176
0.819 Intermediate Similarity NPC83744
0.819 Intermediate Similarity NPC220229
0.8182 Intermediate Similarity NPC472976
0.8182 Intermediate Similarity NPC299100
0.8182 Intermediate Similarity NPC472977
0.8182 Intermediate Similarity NPC318332
0.8173 Intermediate Similarity NPC209502
0.8173 Intermediate Similarity NPC204833
0.8173 Intermediate Similarity NPC471293
0.8173 Intermediate Similarity NPC160843
0.8165 Intermediate Similarity NPC67259
0.8165 Intermediate Similarity NPC326542
0.8165 Intermediate Similarity NPC147912
0.8163 Intermediate Similarity NPC155304
0.8163 Intermediate Similarity NPC189520
0.8155 Intermediate Similarity NPC477054
0.8155 Intermediate Similarity NPC136289
0.8148 Intermediate Similarity NPC470063
0.8144 Intermediate Similarity NPC475921
0.8144 Intermediate Similarity NPC474704
0.8144 Intermediate Similarity NPC2983
0.8142 Intermediate Similarity NPC88326
0.8142 Intermediate Similarity NPC23786
0.8142 Intermediate Similarity NPC153700
0.8142 Intermediate Similarity NPC470265
0.8137 Intermediate Similarity NPC473510
0.8137 Intermediate Similarity NPC477521
0.8137 Intermediate Similarity NPC154072
0.8137 Intermediate Similarity NPC83709
0.8137 Intermediate Similarity NPC167974
0.8137 Intermediate Similarity NPC266955
0.8131 Intermediate Similarity NPC472215
0.8131 Intermediate Similarity NPC472214
0.8125 Intermediate Similarity NPC475740
0.8125 Intermediate Similarity NPC138756
0.8119 Intermediate Similarity NPC291634
0.8119 Intermediate Similarity NPC261807
0.8119 Intermediate Similarity NPC476893
0.8119 Intermediate Similarity NPC272451
0.8119 Intermediate Similarity NPC210337
0.8113 Intermediate Similarity NPC329417
0.8113 Intermediate Similarity NPC217201
0.8113 Intermediate Similarity NPC475418
0.8113 Intermediate Similarity NPC318363
0.8113 Intermediate Similarity NPC473482
0.8105 Intermediate Similarity NPC292553
0.8105 Intermediate Similarity NPC474083
0.81 Intermediate Similarity NPC476174
0.81 Intermediate Similarity NPC259286
0.81 Intermediate Similarity NPC53565
0.8095 Intermediate Similarity NPC150531
0.8095 Intermediate Similarity NPC173172
0.8095 Intermediate Similarity NPC60681
0.8095 Intermediate Similarity NPC260268
0.8095 Intermediate Similarity NPC470587
0.8095 Intermediate Similarity NPC48733
0.8095 Intermediate Similarity NPC476027
0.8095 Intermediate Similarity NPC319077
0.8095 Intermediate Similarity NPC296945
0.8095 Intermediate Similarity NPC472655
0.8095 Intermediate Similarity NPC171137
0.8095 Intermediate Similarity NPC152695
0.8095 Intermediate Similarity NPC50692
0.8095 Intermediate Similarity NPC49958
0.8095 Intermediate Similarity NPC475414
0.8095 Intermediate Similarity NPC302607
0.8095 Intermediate Similarity NPC257353
0.8095 Intermediate Similarity NPC202167
0.8095 Intermediate Similarity NPC85829
0.8095 Intermediate Similarity NPC214264
0.8095 Intermediate Similarity NPC97202

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476897 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
0.8519 High Similarity NPD7115 Discovery
0.8191 Intermediate Similarity NPD4786 Approved
0.7979 Intermediate Similarity NPD3667 Approved
0.7959 Intermediate Similarity NPD5328 Approved
0.79 Intermediate Similarity NPD6399 Phase 3
0.7835 Intermediate Similarity NPD3618 Phase 1
0.781 Intermediate Similarity NPD5211 Phase 2
0.78 Intermediate Similarity NPD6079 Approved
0.7788 Intermediate Similarity NPD7640 Approved
0.7788 Intermediate Similarity NPD7639 Approved
0.7767 Intermediate Similarity NPD4755 Approved
0.7766 Intermediate Similarity NPD7525 Registered
0.7757 Intermediate Similarity NPD6675 Approved
0.7757 Intermediate Similarity NPD5739 Approved
0.7757 Intermediate Similarity NPD7128 Approved
0.7757 Intermediate Similarity NPD6402 Approved
0.7723 Intermediate Similarity NPD4202 Approved
0.7692 Intermediate Similarity NPD7638 Approved
0.7664 Intermediate Similarity NPD5141 Approved
0.7658 Intermediate Similarity NPD8297 Approved
0.7619 Intermediate Similarity NPD5285 Approved
0.7619 Intermediate Similarity NPD4700 Approved
0.7619 Intermediate Similarity NPD5286 Approved
0.7619 Intermediate Similarity NPD4696 Approved
0.7615 Intermediate Similarity NPD6881 Approved
0.7615 Intermediate Similarity NPD6899 Approved
0.7615 Intermediate Similarity NPD7320 Approved
0.76 Intermediate Similarity NPD4753 Phase 2
0.7596 Intermediate Similarity NPD6083 Phase 2
0.7596 Intermediate Similarity NPD6084 Phase 2
0.7576 Intermediate Similarity NPD7524 Approved
0.7551 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD6372 Approved
0.7545 Intermediate Similarity NPD6373 Approved
0.7524 Intermediate Similarity NPD4225 Approved
0.7523 Intermediate Similarity NPD5697 Approved
0.7523 Intermediate Similarity NPD5701 Approved
0.75 Intermediate Similarity NPD5222 Approved
0.75 Intermediate Similarity NPD4697 Phase 3
0.75 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5221 Approved
0.7477 Intermediate Similarity NPD6883 Approved
0.7477 Intermediate Similarity NPD5226 Approved
0.7477 Intermediate Similarity NPD7290 Approved
0.7477 Intermediate Similarity NPD5224 Approved
0.7477 Intermediate Similarity NPD4633 Approved
0.7477 Intermediate Similarity NPD5225 Approved
0.7477 Intermediate Similarity NPD7102 Approved
0.7476 Intermediate Similarity NPD7748 Approved
0.7451 Intermediate Similarity NPD8035 Phase 2
0.7451 Intermediate Similarity NPD8034 Phase 2
0.7451 Intermediate Similarity NPD7515 Phase 2
0.7449 Intermediate Similarity NPD3665 Phase 1
0.7449 Intermediate Similarity NPD3666 Approved
0.7449 Intermediate Similarity NPD3668 Phase 3
0.7449 Intermediate Similarity NPD3133 Approved
0.7429 Intermediate Similarity NPD5173 Approved
0.7411 Intermediate Similarity NPD8130 Phase 1
0.7411 Intermediate Similarity NPD6617 Approved
0.7411 Intermediate Similarity NPD6650 Approved
0.7411 Intermediate Similarity NPD6869 Approved
0.7411 Intermediate Similarity NPD6649 Approved
0.7411 Intermediate Similarity NPD6847 Approved
0.7407 Intermediate Similarity NPD5175 Approved
0.7407 Intermediate Similarity NPD5174 Approved
0.7387 Intermediate Similarity NPD6013 Approved
0.7387 Intermediate Similarity NPD6012 Approved
0.7387 Intermediate Similarity NPD6014 Approved
0.7387 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD5223 Approved
0.7364 Intermediate Similarity NPD6412 Phase 2
0.7347 Intermediate Similarity NPD4788 Approved
0.7347 Intermediate Similarity NPD6695 Phase 3
0.7345 Intermediate Similarity NPD6882 Approved
0.7333 Intermediate Similarity NPD7507 Approved
0.7321 Intermediate Similarity NPD4634 Approved
0.7297 Intermediate Similarity NPD6011 Approved
0.7281 Intermediate Similarity NPD4632 Approved
0.7273 Intermediate Similarity NPD4767 Approved
0.7273 Intermediate Similarity NPD4768 Approved
0.7273 Intermediate Similarity NPD6008 Approved
0.7273 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD7902 Approved
0.7257 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD4754 Approved
0.7245 Intermediate Similarity NPD4221 Approved
0.7245 Intermediate Similarity NPD4223 Phase 3
0.7238 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD5210 Approved
0.7238 Intermediate Similarity NPD4629 Approved
0.7238 Intermediate Similarity NPD5695 Phase 3
0.7234 Intermediate Similarity NPD7339 Approved
0.7234 Intermediate Similarity NPD6942 Approved
0.7203 Intermediate Similarity NPD6059 Approved
0.7203 Intermediate Similarity NPD6054 Approved
0.7203 Intermediate Similarity NPD6319 Approved
0.72 Intermediate Similarity NPD5329 Approved
0.7196 Intermediate Similarity NPD5696 Approved
0.7158 Intermediate Similarity NPD6933 Approved
0.7157 Intermediate Similarity NPD5737 Approved
0.7157 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD6672 Approved
0.7156 Intermediate Similarity NPD7632 Discontinued
0.7154 Intermediate Similarity NPD7319 Approved
0.7143 Intermediate Similarity NPD5128 Approved
0.7143 Intermediate Similarity NPD4730 Approved
0.7143 Intermediate Similarity NPD4729 Approved
0.7129 Intermediate Similarity NPD5279 Phase 3
0.7129 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD7521 Approved
0.7129 Intermediate Similarity NPD7334 Approved
0.7129 Intermediate Similarity NPD6684 Approved
0.7129 Intermediate Similarity NPD7146 Approved
0.7129 Intermediate Similarity NPD6409 Approved
0.7129 Intermediate Similarity NPD5330 Approved
0.7115 Intermediate Similarity NPD7637 Suspended
0.7113 Intermediate Similarity NPD7645 Phase 2
0.71 Intermediate Similarity NPD4197 Approved
0.7097 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6370 Approved
0.7064 Intermediate Similarity NPD4159 Approved
0.7059 Intermediate Similarity NPD7750 Discontinued
0.7059 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6930 Phase 2
0.7041 Intermediate Similarity NPD6931 Approved
0.7034 Intermediate Similarity NPD7327 Approved
0.7034 Intermediate Similarity NPD7328 Approved
0.7025 Intermediate Similarity NPD7604 Phase 2
0.7018 Intermediate Similarity NPD5249 Phase 3
0.7018 Intermediate Similarity NPD5250 Approved
0.7018 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD5251 Approved
0.7018 Intermediate Similarity NPD5247 Approved
0.7018 Intermediate Similarity NPD5248 Approved
0.701 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6274 Approved
0.7 Intermediate Similarity NPD8033 Approved
0.7 Intermediate Similarity NPD6016 Approved
0.7 Intermediate Similarity NPD6015 Approved
0.6991 Remote Similarity NPD6686 Approved
0.699 Remote Similarity NPD6903 Approved
0.6983 Remote Similarity NPD8133 Approved
0.6981 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6981 Remote Similarity NPD7900 Approved
0.6979 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6979 Remote Similarity NPD6117 Approved
0.6975 Remote Similarity NPD7516 Approved
0.6975 Remote Similarity NPD7100 Approved
0.6975 Remote Similarity NPD7101 Approved
0.6967 Remote Similarity NPD7492 Approved
0.6961 Remote Similarity NPD5205 Approved
0.6961 Remote Similarity NPD4688 Approved
0.6961 Remote Similarity NPD6098 Approved
0.6961 Remote Similarity NPD4623 Approved
0.6961 Remote Similarity NPD4138 Approved
0.6961 Remote Similarity NPD4693 Phase 3
0.6961 Remote Similarity NPD4519 Discontinued
0.6961 Remote Similarity NPD4690 Approved
0.6961 Remote Similarity NPD4689 Approved
0.6957 Remote Similarity NPD5215 Approved
0.6957 Remote Similarity NPD5216 Approved
0.6957 Remote Similarity NPD5217 Approved
0.6949 Remote Similarity NPD6009 Approved
0.6947 Remote Similarity NPD6926 Approved
0.6947 Remote Similarity NPD6924 Approved
0.6942 Remote Similarity NPD5988 Approved
0.6939 Remote Similarity NPD6929 Approved
0.6935 Remote Similarity NPD7736 Approved
0.6923 Remote Similarity NPD6080 Approved
0.6923 Remote Similarity NPD6904 Approved
0.6923 Remote Similarity NPD6673 Approved
0.6917 Remote Similarity NPD8294 Approved
0.6917 Remote Similarity NPD8377 Approved
0.6911 Remote Similarity NPD6616 Approved
0.6907 Remote Similarity NPD6116 Phase 1
0.6891 Remote Similarity NPD6335 Approved
0.6882 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6882 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6882 Remote Similarity NPD3700 Clinical (unspecified phase)
0.687 Remote Similarity NPD5135 Approved
0.687 Remote Similarity NPD5169 Approved
0.687 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6869 Remote Similarity NPD7514 Phase 3
0.6864 Remote Similarity NPD6868 Approved
0.686 Remote Similarity NPD8379 Approved
0.686 Remote Similarity NPD8296 Approved
0.686 Remote Similarity NPD6908 Approved
0.686 Remote Similarity NPD5983 Phase 2
0.686 Remote Similarity NPD8335 Approved
0.686 Remote Similarity NPD8378 Approved
0.686 Remote Similarity NPD8380 Approved
0.686 Remote Similarity NPD6909 Approved
0.6855 Remote Similarity NPD7078 Approved
0.6855 Remote Similarity NPD8293 Discontinued
0.6842 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5168 Approved
0.6837 Remote Similarity NPD6114 Approved
0.6837 Remote Similarity NPD6115 Approved
0.6837 Remote Similarity NPD6697 Approved

Structure

External Identifiers

PubChem CID   21590015
ChEMBL   CHEMBL461185
ZINC  

Physicochemical Properties

Molecular Weight:  472.36
ALogP:  2.4078
MLogP:  4.32
XLogP:  6.049
# Rotatable Bonds:  13
Polar Surface Area:  70.06
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  34

Download Data

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