Natural Product: NPC470254

Natural Product ID:  NPC470254
Common Name:   Methyl (6R)-6-[(5R,7S,10S,11S,13R,14R,17R)-7,11-Dihydroxy-4,4,10,13,14-Pentamethyl-3,15-Dioxo-2,5,6,7,11,12,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-4-Oxoheptanoate
IUPAC Name:   methyl (6R)-6-[(5R,7S,10S,11S,13R,14R,17R)-7,11-dihydroxy-4,4,10,13,14-pentamethyl-3,15-dioxo-2,5,6,7,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Synonyms:  
Molecular Formula:   C31H46O7
Standard InCHIKey:  LNODMNUGJTVKST-ODSMEWKMSA-N
Standard InCHI:  InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-22,33-34H,9-15H2,1-8H3/t16-,17?,19-,20+,21+,22+,29+,30-,31+/m1/s1
Canonical SMILES:  COC(=O)C(CC(=O)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)C[C@H](O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)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
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota fruiting body PMID[22047696]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT41 Individual Protein Aldose reductase Homo sapiens IC50 > 189400 nM 9868159
NPT2 Others Unspecified IC50 > 600000 nM 7365742

  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 NPC470254 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
0.9884 High Similarity NPC107690
0.9556 High Similarity NPC106557
0.9444 High Similarity NPC243525
0.9444 High Similarity NPC3772
0.9444 High Similarity NPC40765
0.9438 High Similarity NPC184870
0.9348 High Similarity NPC205899
0.9341 High Similarity NPC121339
0.9333 High Similarity NPC37646
0.9239 High Similarity NPC10364
0.9231 High Similarity NPC328371
0.9149 High Similarity NPC56498
0.914 High Similarity NPC51370
0.913 High Similarity NPC18319
0.9121 High Similarity NPC173875
0.9121 High Similarity NPC174948
0.9121 High Similarity NPC318282
0.9121 High Similarity NPC469995
0.9053 High Similarity NPC236390
0.8958 High Similarity NPC28656
0.8947 High Similarity NPC204450
0.8947 High Similarity NPC195290
0.8936 High Similarity NPC287833
0.8936 High Similarity NPC299971
0.8936 High Similarity NPC144660
0.8913 High Similarity NPC255809
0.8901 High Similarity NPC25750
0.8889 High Similarity NPC477149
0.8889 High Similarity NPC477147
0.8854 High Similarity NPC55872
0.883 High Similarity NPC16021
0.8817 High Similarity NPC95565
0.8817 High Similarity NPC125622
0.8817 High Similarity NPC7124
0.8791 High Similarity NPC297265
0.8778 High Similarity NPC214387
0.8776 High Similarity NPC473037
0.875 High Similarity NPC119601
0.875 High Similarity NPC281702
0.875 High Similarity NPC308726
0.8737 High Similarity NPC307954
0.8737 High Similarity NPC88198
0.8723 High Similarity NPC122294
0.871 High Similarity NPC317586
0.871 High Similarity NPC241156
0.871 High Similarity NPC470016
0.8696 High Similarity NPC243866
0.8696 High Similarity NPC472930
0.8681 High Similarity NPC20388
0.8681 High Similarity NPC469400
0.8681 High Similarity NPC289213
0.8673 High Similarity NPC51452
0.866 High Similarity NPC251017
0.8652 High Similarity NPC322159
0.8646 High Similarity NPC163372
0.8646 High Similarity NPC472924
0.8646 High Similarity NPC302537
0.8632 High Similarity NPC471717
0.8632 High Similarity NPC197386
0.8617 High Similarity NPC472941
0.8617 High Similarity NPC456
0.8602 High Similarity NPC469406
0.8602 High Similarity NPC166906
0.8602 High Similarity NPC471720
0.8587 High Similarity NPC63748
0.8571 High Similarity NPC54689
0.8557 High Similarity NPC136289
0.8557 High Similarity NPC234892
0.8542 High Similarity NPC476274
0.8542 High Similarity NPC157787
0.8542 High Similarity NPC218383
0.8539 High Similarity NPC474083
0.8526 High Similarity NPC107243
0.8526 High Similarity NPC475894
0.8526 High Similarity NPC320306
0.8511 High Similarity NPC473648
0.8511 High Similarity NPC297199
0.85 High Similarity NPC295244
0.8495 Intermediate Similarity NPC170220
0.8495 Intermediate Similarity NPC141497
0.8495 Intermediate Similarity NPC206810
0.8495 Intermediate Similarity NPC69454
0.8495 Intermediate Similarity NPC107674
0.8469 Intermediate Similarity NPC33973
0.8469 Intermediate Similarity NPC70967
0.8462 Intermediate Similarity NPC242864
0.8454 Intermediate Similarity NPC224720
0.8454 Intermediate Similarity NPC81530
0.8454 Intermediate Similarity NPC476240
0.8454 Intermediate Similarity NPC476223
0.8444 Intermediate Similarity NPC55309
0.8444 Intermediate Similarity NPC28252
0.8438 Intermediate Similarity NPC48647
0.8431 Intermediate Similarity NPC115303
0.8427 Intermediate Similarity NPC109512
0.8427 Intermediate Similarity NPC165064
0.8421 Intermediate Similarity NPC305483
0.8421 Intermediate Similarity NPC155676
0.8421 Intermediate Similarity NPC249954
0.8421 Intermediate Similarity NPC96859
0.8421 Intermediate Similarity NPC328162
0.8416 Intermediate Similarity NPC286174
0.8416 Intermediate Similarity NPC77947
0.8387 Intermediate Similarity NPC23434
0.8387 Intermediate Similarity NPC150383
0.8387 Intermediate Similarity NPC86266
0.8387 Intermediate Similarity NPC212301
0.8387 Intermediate Similarity NPC110657
0.8387 Intermediate Similarity NPC154101
0.8384 Intermediate Similarity NPC216245
0.8384 Intermediate Similarity NPC470251
0.8384 Intermediate Similarity NPC2436
0.8384 Intermediate Similarity NPC135854
0.837 Intermediate Similarity NPC123912
0.837 Intermediate Similarity NPC474889
0.837 Intermediate Similarity NPC155479
0.8367 Intermediate Similarity NPC293753
0.8352 Intermediate Similarity NPC159046
0.8352 Intermediate Similarity NPC233836
0.8352 Intermediate Similarity NPC187376
0.8351 Intermediate Similarity NPC316964
0.8351 Intermediate Similarity NPC477521
0.8351 Intermediate Similarity NPC327431
0.8333 Intermediate Similarity NPC473036
0.8333 Intermediate Similarity NPC471224
0.8333 Intermediate Similarity NPC473038
0.8333 Intermediate Similarity NPC129689
0.8333 Intermediate Similarity NPC57416
0.8333 Intermediate Similarity NPC272898
0.8316 Intermediate Similarity NPC184848
0.8316 Intermediate Similarity NPC469599
0.8316 Intermediate Similarity NPC69548
0.8316 Intermediate Similarity NPC259286
0.8316 Intermediate Similarity NPC48330
0.8316 Intermediate Similarity NPC472932
0.83 Intermediate Similarity NPC323834
0.8298 Intermediate Similarity NPC66429
0.8298 Intermediate Similarity NPC152897
0.828 Intermediate Similarity NPC111585
0.828 Intermediate Similarity NPC148414
0.828 Intermediate Similarity NPC175628
0.8265 Intermediate Similarity NPC124211
0.8265 Intermediate Similarity NPC474327
0.8261 Intermediate Similarity NPC143767
0.8261 Intermediate Similarity NPC131470
0.8261 Intermediate Similarity NPC294480
0.8261 Intermediate Similarity NPC183546
0.8247 Intermediate Similarity NPC235464
0.8247 Intermediate Similarity NPC166745
0.8247 Intermediate Similarity NPC186810
0.8242 Intermediate Similarity NPC212843
0.8229 Intermediate Similarity NPC173272
0.8229 Intermediate Similarity NPC42042
0.8222 Intermediate Similarity NPC209882
0.8218 Intermediate Similarity NPC472925
0.8211 Intermediate Similarity NPC159410
0.8211 Intermediate Similarity NPC49670
0.8202 Intermediate Similarity NPC133391
0.8191 Intermediate Similarity NPC26888
0.8191 Intermediate Similarity NPC233116
0.8182 Intermediate Similarity NPC53222
0.8172 Intermediate Similarity NPC84271
0.8172 Intermediate Similarity NPC102414
0.8172 Intermediate Similarity NPC275740
0.8172 Intermediate Similarity NPC475921
0.8172 Intermediate Similarity NPC86319
0.8172 Intermediate Similarity NPC77168
0.8172 Intermediate Similarity NPC474704
0.8155 Intermediate Similarity NPC37116
0.8152 Intermediate Similarity NPC96496
0.8152 Intermediate Similarity NPC167877
0.8152 Intermediate Similarity NPC474684
0.8152 Intermediate Similarity NPC142361
0.8152 Intermediate Similarity NPC138756
0.8152 Intermediate Similarity NPC312215
0.8144 Intermediate Similarity NPC253826
0.8144 Intermediate Similarity NPC43747
0.8125 Intermediate Similarity NPC263347
0.8125 Intermediate Similarity NPC222845
0.8125 Intermediate Similarity NPC45324
0.8125 Intermediate Similarity NPC476174
0.8125 Intermediate Similarity NPC162001
0.8111 Intermediate Similarity NPC271784
0.8111 Intermediate Similarity NPC469561
0.8105 Intermediate Similarity NPC472942
0.8105 Intermediate Similarity NPC470375
0.8105 Intermediate Similarity NPC470376
0.8105 Intermediate Similarity NPC470224
0.81 Intermediate Similarity NPC140723
0.8095 Intermediate Similarity NPC472929
0.809 Intermediate Similarity NPC201912
0.809 Intermediate Similarity NPC38350
0.8085 Intermediate Similarity NPC69622
0.8085 Intermediate Similarity NPC136801
0.8085 Intermediate Similarity NPC472307
0.8085 Intermediate Similarity NPC48010
0.8085 Intermediate Similarity NPC471896
0.8085 Intermediate Similarity NPC183283
0.8081 Intermediate Similarity NPC473514
0.8081 Intermediate Similarity NPC99411

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470254 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
0.8298 Intermediate Similarity NPD6399 Phase 3
0.7979 Intermediate Similarity NPD5328 Approved
0.7885 Intermediate Similarity NPD6372 Approved
0.7885 Intermediate Similarity NPD6373 Approved
0.7857 Intermediate Similarity NPD4697 Phase 3
0.7826 Intermediate Similarity NPD4786 Approved
0.7812 Intermediate Similarity NPD6079 Approved
0.7767 Intermediate Similarity NPD5739 Approved
0.7767 Intermediate Similarity NPD6675 Approved
0.7767 Intermediate Similarity NPD6402 Approved
0.7767 Intermediate Similarity NPD7128 Approved
0.7736 Intermediate Similarity NPD6649 Approved
0.7736 Intermediate Similarity NPD6650 Approved
0.766 Intermediate Similarity NPD3618 Phase 1
0.7629 Intermediate Similarity NPD8034 Phase 2
0.7629 Intermediate Similarity NPD8035 Phase 2
0.7619 Intermediate Similarity NPD6881 Approved
0.7619 Intermediate Similarity NPD6899 Approved
0.7619 Intermediate Similarity NPD7320 Approved
0.7609 Intermediate Similarity NPD3667 Approved
0.76 Intermediate Similarity NPD6083 Phase 2
0.76 Intermediate Similarity NPD6084 Phase 2
0.7576 Intermediate Similarity NPD5695 Phase 3
0.7556 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7553 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD5697 Approved
0.7524 Intermediate Similarity NPD5701 Approved
0.75 Intermediate Similarity NPD6672 Approved
0.75 Intermediate Similarity NPD5737 Approved
0.75 Intermediate Similarity NPD5222 Approved
0.75 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5221 Approved
0.7477 Intermediate Similarity NPD6883 Approved
0.7477 Intermediate Similarity NPD7290 Approved
0.7477 Intermediate Similarity NPD7102 Approved
0.7476 Intermediate Similarity NPD5211 Phase 2
0.7474 Intermediate Similarity NPD7146 Approved
0.7474 Intermediate Similarity NPD5279 Phase 3
0.7474 Intermediate Similarity NPD7521 Approved
0.7474 Intermediate Similarity NPD7334 Approved
0.7474 Intermediate Similarity NPD6409 Approved
0.7474 Intermediate Similarity NPD5786 Approved
0.7474 Intermediate Similarity NPD6684 Approved
0.7474 Intermediate Similarity NPD5330 Approved
0.7453 Intermediate Similarity NPD6011 Approved
0.7451 Intermediate Similarity NPD7639 Approved
0.7451 Intermediate Similarity NPD7640 Approved
0.7449 Intermediate Similarity NPD5281 Approved
0.7449 Intermediate Similarity NPD7515 Phase 2
0.7449 Intermediate Similarity NPD5284 Approved
0.7447 Intermediate Similarity NPD3665 Phase 1
0.7447 Intermediate Similarity NPD3666 Approved
0.7447 Intermediate Similarity NPD3133 Approved
0.7426 Intermediate Similarity NPD5173 Approved
0.7426 Intermediate Similarity NPD4755 Approved
0.7426 Intermediate Similarity NPD7902 Approved
0.7407 Intermediate Similarity NPD8130 Phase 1
0.7407 Intermediate Similarity NPD6869 Approved
0.7407 Intermediate Similarity NPD6617 Approved
0.7407 Intermediate Similarity NPD6847 Approved
0.7407 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD7115 Discovery
0.7383 Intermediate Similarity NPD6013 Approved
0.7383 Intermediate Similarity NPD6012 Approved
0.7383 Intermediate Similarity NPD6014 Approved
0.7353 Intermediate Similarity NPD7638 Approved
0.7353 Intermediate Similarity NPD5696 Approved
0.7339 Intermediate Similarity NPD6882 Approved
0.7339 Intermediate Similarity NPD8297 Approved
0.7333 Intermediate Similarity NPD6117 Approved
0.7333 Intermediate Similarity NPD5141 Approved
0.732 Intermediate Similarity NPD6903 Approved
0.732 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD4692 Approved
0.7312 Intermediate Similarity NPD4139 Approved
0.7308 Intermediate Similarity NPD7632 Discontinued
0.73 Intermediate Similarity NPD7748 Approved
0.7282 Intermediate Similarity NPD4700 Approved
0.7282 Intermediate Similarity NPD4696 Approved
0.7282 Intermediate Similarity NPD5285 Approved
0.7282 Intermediate Similarity NPD5286 Approved
0.7273 Intermediate Similarity NPD6411 Approved
0.7253 Intermediate Similarity NPD6116 Phase 1
0.7245 Intermediate Similarity NPD4753 Phase 2
0.7228 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD5223 Approved
0.72 Intermediate Similarity NPD5779 Approved
0.72 Intermediate Similarity NPD5778 Approved
0.72 Intermediate Similarity NPD4202 Approved
0.7174 Intermediate Similarity NPD6118 Approved
0.7174 Intermediate Similarity NPD6115 Approved
0.7174 Intermediate Similarity NPD6114 Approved
0.7174 Intermediate Similarity NPD6697 Approved
0.7174 Intermediate Similarity NPD3617 Approved
0.7158 Intermediate Similarity NPD5362 Discontinued
0.7143 Intermediate Similarity NPD5224 Approved
0.7143 Intermediate Similarity NPD5225 Approved
0.7143 Intermediate Similarity NPD5226 Approved
0.7143 Intermediate Similarity NPD4633 Approved
0.7143 Intermediate Similarity NPD6868 Approved
0.7129 Intermediate Similarity NPD7900 Approved
0.7129 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD4632 Approved
0.7113 Intermediate Similarity NPD6098 Approved
0.7113 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6008 Approved
0.71 Intermediate Similarity NPD6050 Approved
0.7083 Intermediate Similarity NPD3668 Phase 3
0.7075 Intermediate Similarity NPD5174 Approved
0.7075 Intermediate Similarity NPD4754 Approved
0.7075 Intermediate Similarity NPD5175 Approved
0.7071 Intermediate Similarity NPD6101 Approved
0.7071 Intermediate Similarity NPD6904 Approved
0.7071 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD6673 Approved
0.7071 Intermediate Similarity NPD6080 Approved
0.7064 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5210 Approved
0.7059 Intermediate Similarity NPD4629 Approved
0.7053 Intermediate Similarity NPD4269 Approved
0.7053 Intermediate Similarity NPD4221 Approved
0.7053 Intermediate Similarity NPD4223 Phase 3
0.7053 Intermediate Similarity NPD4270 Approved
0.7018 Intermediate Similarity NPD6335 Approved
0.701 Intermediate Similarity NPD5329 Approved
0.701 Intermediate Similarity NPD1694 Approved
0.7 Intermediate Similarity NPD5785 Approved
0.7 Intermediate Similarity NPD5207 Approved
0.7 Intermediate Similarity NPD5692 Phase 3
0.6991 Remote Similarity NPD6274 Approved
0.6979 Remote Similarity NPD4788 Approved
0.6957 Remote Similarity NPD7100 Approved
0.6957 Remote Similarity NPD7101 Approved
0.6952 Remote Similarity NPD6404 Discontinued
0.6944 Remote Similarity NPD4767 Approved
0.6944 Remote Similarity NPD4768 Approved
0.6939 Remote Similarity NPD4694 Approved
0.6939 Remote Similarity NPD5690 Phase 2
0.6939 Remote Similarity NPD5280 Approved
0.6931 Remote Similarity NPD5693 Phase 1
0.6931 Remote Similarity NPD5694 Approved
0.6931 Remote Similarity NPD7637 Suspended
0.693 Remote Similarity NPD6009 Approved
0.693 Remote Similarity NPD6317 Approved
0.6907 Remote Similarity NPD4197 Approved
0.69 Remote Similarity NPD6051 Approved
0.69 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6889 Remote Similarity NPD6081 Approved
0.6889 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6889 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6053 Discontinued
0.6875 Remote Similarity NPD6435 Approved
0.687 Remote Similarity NPD6313 Approved
0.687 Remote Similarity NPD6314 Approved
0.6848 Remote Similarity NPD3702 Approved
0.6848 Remote Similarity NPD7339 Approved
0.6848 Remote Similarity NPD3703 Phase 2
0.6848 Remote Similarity NPD6942 Approved
0.6847 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5368 Approved
0.6842 Remote Similarity NPD4252 Approved
0.6842 Remote Similarity NPD7525 Registered
0.6838 Remote Similarity NPD6909 Approved
0.6838 Remote Similarity NPD6908 Approved
0.6838 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6837 Remote Similarity NPD5363 Approved
0.6818 Remote Similarity NPD4730 Approved
0.6818 Remote Similarity NPD5128 Approved
0.6818 Remote Similarity NPD5168 Approved
0.6818 Remote Similarity NPD4729 Approved
0.68 Remote Similarity NPD5208 Approved
0.6796 Remote Similarity NPD6001 Approved
0.6782 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6778 Remote Similarity NPD4244 Approved
0.6778 Remote Similarity NPD4245 Approved
0.6778 Remote Similarity NPD4789 Approved
0.6771 Remote Similarity NPD5369 Approved
0.6768 Remote Similarity NPD4623 Approved
0.6768 Remote Similarity NPD4690 Approved
0.6768 Remote Similarity NPD4689 Approved
0.6768 Remote Similarity NPD4519 Discontinued
0.6768 Remote Similarity NPD5205 Approved
0.6768 Remote Similarity NPD4138 Approved
0.6768 Remote Similarity NPD4693 Phase 3
0.6768 Remote Similarity NPD4688 Approved
0.6757 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6752 Remote Similarity NPD6319 Approved
0.6731 Remote Similarity NPD5654 Approved
0.6727 Remote Similarity NPD6412 Phase 2
0.6723 Remote Similarity NPD7604 Phase 2
0.6705 Remote Similarity NPD4224 Phase 2
0.6703 Remote Similarity NPD5777 Approved
0.6701 Remote Similarity NPD4752 Clinical (unspecified phase)
0.67 Remote Similarity NPD3573 Approved
0.6698 Remote Similarity NPD4225 Approved
0.6696 Remote Similarity NPD5251 Approved
0.6696 Remote Similarity NPD5248 Approved
0.6696 Remote Similarity NPD4634 Approved
0.6696 Remote Similarity NPD5247 Approved

Structure

External Identifiers

PubChem CID   57391537
ChEMBL   CHEMBL1922181
ZINC  

Physicochemical Properties

Molecular Weight:  530.32
ALogP:  0.7884
MLogP:  4.1
XLogP:  1.529
# Rotatable Bonds:  17
Polar Surface Area:  117.97
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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