Natural Product: NPC472925

Natural Product ID:  NPC472925
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O7
Standard InCHIKey:  KZSJJLYAVJDVEZ-BHEBFUJYSA-N
Standard InCHI:  InChI=1S/C30H44O7/c1-16(8-7-9-17(2)26(36)37)18-10-13-29(5)22-19(32)14-20-27(3,12-11-21(33)28(20,4)15-31)23(22)24(34)25(35)30(18,29)6/h9,16,18-20,25,31-32,35H,7-8,10-15H2,1-6H3,(H,36,37)/b17-9+/t16-,18-,19+,20-,25+,27+,28+,29+,30+/m1/s1
Canonical SMILES:  OC[C@]1(C)C(=O)CC[C@]2([C@H]1C[C@H](O)C1=C2C(=O)[C@@H]([C@]2([C@@]1(C)CC[C@@H]2[C@@H](CC/C=C(/C(=O)O)C)C)C)O)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
NPO33020 ganoderma leucocontextum Species Ganodermataceae Eukaryota fruiting bodies Tibet, China PMID[26287401]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT306 Cell Line PC-3 Homo sapiens IC50 > 200000 nM Open TG-GATES in vivo data: Hematology
NPT2 Others Unspecified IC50 > 50000 nM 23282106
NPT1088 Individual Protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase Sus scrofa IC50 = 66900 nM 18044840
NPT111 Cell Line K562 Homo sapiens IC50 = 19700 nM 18710917

  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 NPC472925 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
0.9608 High Similarity NPC472928
0.949 High Similarity NPC472924
0.9423 High Similarity NPC472926
0.9388 High Similarity NPC327431
0.9184 High Similarity NPC320306
0.9159 High Similarity NPC472927
0.9126 High Similarity NPC295244
0.9109 High Similarity NPC251017
0.91 High Similarity NPC163372
0.91 High Similarity NPC302537
0.9082 High Similarity NPC305483
0.9082 High Similarity NPC328162
0.9082 High Similarity NPC96859
0.901 High Similarity NPC293753
0.901 High Similarity NPC308726
0.901 High Similarity NPC119601
0.8991 High Similarity NPC472933
0.898 High Similarity NPC469995
0.898 High Similarity NPC318282
0.898 High Similarity NPC173875
0.898 High Similarity NPC174948
0.8932 High Similarity NPC51452
0.8932 High Similarity NPC323834
0.89 High Similarity NPC197386
0.89 High Similarity NPC114274
0.8889 High Similarity NPC328371
0.8879 High Similarity NPC472929
0.8878 High Similarity NPC166906
0.8824 High Similarity NPC234892
0.8812 High Similarity NPC287833
0.8807 High Similarity NPC472934
0.88 High Similarity NPC43747
0.88 High Similarity NPC108078
0.8788 High Similarity NPC317586
0.8788 High Similarity NPC470016
0.8776 High Similarity NPC69454
0.8738 High Similarity NPC55872
0.8713 High Similarity NPC471717
0.87 High Similarity NPC7124
0.87 High Similarity NPC472941
0.87 High Similarity NPC173272
0.87 High Similarity NPC249954
0.87 High Similarity NPC456
0.8687 High Similarity NPC196485
0.8687 High Similarity NPC245972
0.8679 High Similarity NPC286174
0.8679 High Similarity NPC77947
0.8673 High Similarity NPC63748
0.8673 High Similarity NPC233116
0.8654 High Similarity NPC96268
0.8654 High Similarity NPC28656
0.8641 High Similarity NPC136289
0.8641 High Similarity NPC204450
0.8641 High Similarity NPC473424
0.8641 High Similarity NPC195290
0.8627 High Similarity NPC476274
0.8627 High Similarity NPC51370
0.8614 High Similarity NPC122294
0.86 High Similarity NPC259286
0.86 High Similarity NPC48330
0.8598 High Similarity NPC473036
0.8598 High Similarity NPC129689
0.8598 High Similarity NPC272898
0.8586 High Similarity NPC472930
0.8558 High Similarity NPC312900
0.8558 High Similarity NPC236390
0.8558 High Similarity NPC247957
0.8558 High Similarity NPC159442
0.8558 High Similarity NPC249187
0.8558 High Similarity NPC95899
0.8544 High Similarity NPC476223
0.8544 High Similarity NPC81530
0.8544 High Similarity NPC476240
0.8544 High Similarity NPC224720
0.8529 High Similarity NPC166745
0.8529 High Similarity NPC235464
0.8529 High Similarity NPC16021
0.8519 High Similarity NPC115303
0.85 High Similarity NPC184870
0.85 High Similarity NPC119562
0.85 High Similarity NPC279410
0.85 High Similarity NPC469406
0.8491 Intermediate Similarity NPC475294
0.8485 Intermediate Similarity NPC185936
0.8485 Intermediate Similarity NPC168027
0.8476 Intermediate Similarity NPC72255
0.8469 Intermediate Similarity NPC214387
0.8469 Intermediate Similarity NPC275740
0.8469 Intermediate Similarity NPC86319
0.8468 Intermediate Similarity NPC239273
0.8455 Intermediate Similarity NPC470953
0.8447 Intermediate Similarity NPC307954
0.8447 Intermediate Similarity NPC316964
0.8447 Intermediate Similarity NPC157787
0.8447 Intermediate Similarity NPC144660
0.8447 Intermediate Similarity NPC88198
0.8447 Intermediate Similarity NPC299971
0.844 Intermediate Similarity NPC71348
0.8431 Intermediate Similarity NPC253826
0.8431 Intermediate Similarity NPC18319
0.8426 Intermediate Similarity NPC197428
0.8416 Intermediate Similarity NPC37646
0.8416 Intermediate Similarity NPC472932
0.8416 Intermediate Similarity NPC271195
0.8411 Intermediate Similarity NPC65941
0.84 Intermediate Similarity NPC206810
0.84 Intermediate Similarity NPC214697
0.8396 Intermediate Similarity NPC166607
0.8396 Intermediate Similarity NPC149047
0.8396 Intermediate Similarity NPC257353
0.8384 Intermediate Similarity NPC48010
0.8384 Intermediate Similarity NPC469400
0.8384 Intermediate Similarity NPC477147
0.8384 Intermediate Similarity NPC477149
0.8381 Intermediate Similarity NPC111323
0.8381 Intermediate Similarity NPC311612
0.8378 Intermediate Similarity NPC148458
0.8367 Intermediate Similarity NPC471724
0.8367 Intermediate Similarity NPC471722
0.8367 Intermediate Similarity NPC131470
0.8367 Intermediate Similarity NPC143767
0.8367 Intermediate Similarity NPC242864
0.8365 Intermediate Similarity NPC282524
0.8365 Intermediate Similarity NPC470184
0.835 Intermediate Similarity NPC147954
0.835 Intermediate Similarity NPC103051
0.835 Intermediate Similarity NPC10364
0.835 Intermediate Similarity NPC478056
0.8333 Intermediate Similarity NPC301534
0.8333 Intermediate Similarity NPC95565
0.8333 Intermediate Similarity NPC29152
0.8333 Intermediate Similarity NPC40765
0.8333 Intermediate Similarity NPC117133
0.8333 Intermediate Similarity NPC243525
0.8333 Intermediate Similarity NPC250757
0.8333 Intermediate Similarity NPC214644
0.8333 Intermediate Similarity NPC46570
0.8333 Intermediate Similarity NPC3772
0.8318 Intermediate Similarity NPC91034
0.8318 Intermediate Similarity NPC473037
0.8318 Intermediate Similarity NPC220229
0.8318 Intermediate Similarity NPC475060
0.8318 Intermediate Similarity NPC185
0.8304 Intermediate Similarity NPC471854
0.8302 Intermediate Similarity NPC209502
0.8302 Intermediate Similarity NPC201763
0.8302 Intermediate Similarity NPC204833
0.8302 Intermediate Similarity NPC160843
0.83 Intermediate Similarity NPC198242
0.83 Intermediate Similarity NPC73457
0.83 Intermediate Similarity NPC107690
0.83 Intermediate Similarity NPC211403
0.83 Intermediate Similarity NPC212948
0.83 Intermediate Similarity NPC473998
0.8286 Intermediate Similarity NPC87351
0.8286 Intermediate Similarity NPC281702
0.8283 Intermediate Similarity NPC473999
0.8283 Intermediate Similarity NPC123912
0.8283 Intermediate Similarity NPC309603
0.8283 Intermediate Similarity NPC472240
0.8283 Intermediate Similarity NPC262858
0.8283 Intermediate Similarity NPC186688
0.8283 Intermediate Similarity NPC146554
0.8269 Intermediate Similarity NPC471041
0.8269 Intermediate Similarity NPC470074
0.8269 Intermediate Similarity NPC474720
0.8269 Intermediate Similarity NPC472972
0.8269 Intermediate Similarity NPC205899
0.8269 Intermediate Similarity NPC15390
0.8269 Intermediate Similarity NPC306856
0.8269 Intermediate Similarity NPC477521
0.8269 Intermediate Similarity NPC154072
0.8265 Intermediate Similarity NPC159046
0.8265 Intermediate Similarity NPC233836
0.8265 Intermediate Similarity NPC187376
0.8261 Intermediate Similarity NPC107493
0.8252 Intermediate Similarity NPC121339
0.8252 Intermediate Similarity NPC141401
0.8252 Intermediate Similarity NPC156546
0.8252 Intermediate Similarity NPC106557
0.8252 Intermediate Similarity NPC99726
0.8246 Intermediate Similarity NPC476962
0.8241 Intermediate Similarity NPC217201
0.8241 Intermediate Similarity NPC94529
0.8235 Intermediate Similarity NPC200702
0.8235 Intermediate Similarity NPC255809
0.8235 Intermediate Similarity NPC476174
0.8235 Intermediate Similarity NPC297199
0.823 Intermediate Similarity NPC21326
0.8224 Intermediate Similarity NPC50692
0.8224 Intermediate Similarity NPC260268
0.8224 Intermediate Similarity NPC476027
0.8224 Intermediate Similarity NPC152695
0.8224 Intermediate Similarity NPC97202
0.8224 Intermediate Similarity NPC85829
0.8224 Intermediate Similarity NPC49958
0.8224 Intermediate Similarity NPC171137
0.8224 Intermediate Similarity NPC296945
0.8224 Intermediate Similarity NPC150531
0.8224 Intermediate Similarity NPC48733

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472925 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
0.8333 Intermediate Similarity NPD5221 Approved
0.8333 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD5222 Approved
0.83 Intermediate Similarity NPD6079 Approved
0.8286 Intermediate Similarity NPD5211 Phase 2
0.8283 Intermediate Similarity NPD5328 Approved
0.8252 Intermediate Similarity NPD5173 Approved
0.8241 Intermediate Similarity NPD6881 Approved
0.8241 Intermediate Similarity NPD6899 Approved
0.8224 Intermediate Similarity NPD7128 Approved
0.8224 Intermediate Similarity NPD6675 Approved
0.8224 Intermediate Similarity NPD5739 Approved
0.8224 Intermediate Similarity NPD6402 Approved
0.8155 Intermediate Similarity NPD4697 Phase 3
0.8148 Intermediate Similarity NPD5697 Approved
0.8131 Intermediate Similarity NPD5141 Approved
0.8095 Intermediate Similarity NPD4696 Approved
0.8095 Intermediate Similarity NPD5285 Approved
0.8095 Intermediate Similarity NPD5286 Approved
0.8091 Intermediate Similarity NPD7290 Approved
0.8091 Intermediate Similarity NPD6883 Approved
0.8091 Intermediate Similarity NPD4634 Approved
0.8091 Intermediate Similarity NPD7102 Approved
0.8077 Intermediate Similarity NPD4755 Approved
0.8073 Intermediate Similarity NPD7320 Approved
0.8073 Intermediate Similarity NPD6011 Approved
0.8036 Intermediate Similarity NPD4632 Approved
0.8019 Intermediate Similarity NPD5223 Approved
0.8018 Intermediate Similarity NPD6847 Approved
0.8018 Intermediate Similarity NPD6617 Approved
0.8018 Intermediate Similarity NPD6650 Approved
0.8018 Intermediate Similarity NPD6869 Approved
0.8018 Intermediate Similarity NPD6649 Approved
0.8018 Intermediate Similarity NPD8130 Phase 1
0.8 Intermediate Similarity NPD6014 Approved
0.8 Intermediate Similarity NPD6013 Approved
0.8 Intermediate Similarity NPD6372 Approved
0.8 Intermediate Similarity NPD6012 Approved
0.8 Intermediate Similarity NPD6373 Approved
0.7982 Intermediate Similarity NPD7115 Discovery
0.7982 Intermediate Similarity NPD5701 Approved
0.7946 Intermediate Similarity NPD8297 Approved
0.7946 Intermediate Similarity NPD6882 Approved
0.7944 Intermediate Similarity NPD5226 Approved
0.7944 Intermediate Similarity NPD4633 Approved
0.7944 Intermediate Similarity NPD5224 Approved
0.7944 Intermediate Similarity NPD5225 Approved
0.7931 Intermediate Similarity NPD6319 Approved
0.7925 Intermediate Similarity NPD7640 Approved
0.7925 Intermediate Similarity NPD7639 Approved
0.7925 Intermediate Similarity NPD4700 Approved
0.787 Intermediate Similarity NPD5174 Approved
0.787 Intermediate Similarity NPD5175 Approved
0.7857 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.783 Intermediate Similarity NPD7638 Approved
0.7826 Intermediate Similarity NPD6009 Approved
0.7815 Intermediate Similarity NPD7492 Approved
0.78 Intermediate Similarity NPD3618 Phase 1
0.78 Intermediate Similarity NPD5279 Phase 3
0.7778 Intermediate Similarity NPD6054 Approved
0.7778 Intermediate Similarity NPD4786 Approved
0.7767 Intermediate Similarity NPD7515 Phase 2
0.775 Intermediate Similarity NPD6616 Approved
0.7739 Intermediate Similarity NPD6868 Approved
0.7736 Intermediate Similarity NPD6083 Phase 2
0.7736 Intermediate Similarity NPD6084 Phase 2
0.7714 Intermediate Similarity NPD5695 Phase 3
0.7706 Intermediate Similarity NPD4754 Approved
0.7692 Intermediate Similarity NPD5778 Approved
0.7692 Intermediate Similarity NPD6399 Phase 3
0.7692 Intermediate Similarity NPD5779 Approved
0.7686 Intermediate Similarity NPD7078 Approved
0.7647 Intermediate Similarity NPD6672 Approved
0.7647 Intermediate Similarity NPD5737 Approved
0.7647 Intermediate Similarity NPD6370 Approved
0.7627 Intermediate Similarity NPD6059 Approved
0.7623 Intermediate Similarity NPD7736 Approved
0.7607 Intermediate Similarity NPD6335 Approved
0.7589 Intermediate Similarity NPD4730 Approved
0.7589 Intermediate Similarity NPD5128 Approved
0.7589 Intermediate Similarity NPD4729 Approved
0.7589 Intermediate Similarity NPD5168 Approved
0.7586 Intermediate Similarity NPD6274 Approved
0.7583 Intermediate Similarity NPD7604 Phase 2
0.7576 Intermediate Similarity NPD3667 Approved
0.7573 Intermediate Similarity NPD4753 Phase 2
0.7568 Intermediate Similarity NPD4767 Approved
0.7568 Intermediate Similarity NPD4768 Approved
0.7568 Intermediate Similarity NPD6008 Approved
0.7563 Intermediate Similarity NPD5983 Phase 2
0.7563 Intermediate Similarity NPD6016 Approved
0.7563 Intermediate Similarity NPD6015 Approved
0.7542 Intermediate Similarity NPD7100 Approved
0.7542 Intermediate Similarity NPD7101 Approved
0.7541 Intermediate Similarity NPD8293 Discontinued
0.7524 Intermediate Similarity NPD4202 Approved
0.7521 Intermediate Similarity NPD6317 Approved
0.75 Intermediate Similarity NPD5988 Approved
0.7459 Intermediate Similarity NPD6336 Discontinued
0.7458 Intermediate Similarity NPD6313 Approved
0.7458 Intermediate Similarity NPD6314 Approved
0.7456 Intermediate Similarity NPD5249 Phase 3
0.7456 Intermediate Similarity NPD5251 Approved
0.7456 Intermediate Similarity NPD5250 Approved
0.7456 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD5248 Approved
0.7456 Intermediate Similarity NPD5247 Approved
0.7456 Intermediate Similarity NPD5135 Approved
0.7456 Intermediate Similarity NPD5169 Approved
0.7453 Intermediate Similarity NPD7748 Approved
0.7451 Intermediate Similarity NPD5690 Phase 2
0.7451 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD6411 Approved
0.7426 Intermediate Similarity NPD3666 Approved
0.7426 Intermediate Similarity NPD3133 Approved
0.7426 Intermediate Similarity NPD3665 Phase 1
0.7391 Intermediate Similarity NPD5215 Approved
0.7391 Intermediate Similarity NPD5217 Approved
0.7391 Intermediate Similarity NPD5127 Approved
0.7391 Intermediate Similarity NPD5216 Approved
0.7383 Intermediate Similarity NPD4629 Approved
0.7383 Intermediate Similarity NPD5210 Approved
0.7353 Intermediate Similarity NPD5363 Approved
0.7353 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD5329 Approved
0.7339 Intermediate Similarity NPD5696 Approved
0.7339 Intermediate Similarity NPD4225 Approved
0.7333 Intermediate Similarity NPD5785 Approved
0.7297 Intermediate Similarity NPD7632 Discontinued
0.7282 Intermediate Similarity NPD7146 Approved
0.7282 Intermediate Similarity NPD4694 Approved
0.7282 Intermediate Similarity NPD5280 Approved
0.7282 Intermediate Similarity NPD6409 Approved
0.7282 Intermediate Similarity NPD5330 Approved
0.7282 Intermediate Similarity NPD7521 Approved
0.7282 Intermediate Similarity NPD7334 Approved
0.7282 Intermediate Similarity NPD6684 Approved
0.7273 Intermediate Similarity NPD6908 Approved
0.7273 Intermediate Similarity NPD6909 Approved
0.7273 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD7637 Suspended
0.7264 Intermediate Similarity NPD5281 Approved
0.7264 Intermediate Similarity NPD5284 Approved
0.7264 Intermediate Similarity NPD6050 Approved
0.7255 Intermediate Similarity NPD4197 Approved
0.7248 Intermediate Similarity NPD7902 Approved
0.7238 Intermediate Similarity NPD6904 Approved
0.7238 Intermediate Similarity NPD6101 Approved
0.7238 Intermediate Similarity NPD6673 Approved
0.7238 Intermediate Similarity NPD6080 Approved
0.7238 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD5167 Approved
0.72 Intermediate Similarity NPD6033 Approved
0.72 Intermediate Similarity NPD4695 Discontinued
0.7179 Intermediate Similarity NPD6053 Discontinued
0.7172 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5692 Phase 3
0.7154 Intermediate Similarity NPD8328 Phase 3
0.7143 Intermediate Similarity NPD7319 Approved
0.7143 Intermediate Similarity NPD6903 Approved
0.7143 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6404 Discontinued
0.7115 Intermediate Similarity NPD5786 Approved
0.7103 Intermediate Similarity NPD5694 Approved
0.7103 Intermediate Similarity NPD5693 Phase 1
0.7087 Intermediate Similarity NPD3668 Phase 3
0.7064 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4269 Approved
0.7059 Intermediate Similarity NPD4221 Approved
0.7059 Intermediate Similarity NPD4270 Approved
0.7059 Intermediate Similarity NPD4223 Phase 3
0.7048 Intermediate Similarity NPD3573 Approved
0.704 Intermediate Similarity NPD7507 Approved
0.7031 Intermediate Similarity NPD7260 Phase 2
0.7019 Intermediate Similarity NPD1696 Phase 3
0.7 Intermediate Similarity NPD6114 Approved
0.7 Intermediate Similarity NPD6118 Approved
0.7 Intermediate Similarity NPD3617 Approved
0.7 Intermediate Similarity NPD6697 Approved
0.7 Intermediate Similarity NPD6115 Approved
0.6983 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6972 Remote Similarity NPD7900 Approved
0.6972 Remote Similarity NPD7901 Clinical (unspecified phase)
0.697 Remote Similarity NPD6334 Approved
0.697 Remote Similarity NPD6333 Approved
0.6952 Remote Similarity NPD6098 Approved
0.6944 Remote Similarity NPD8035 Phase 2
0.6944 Remote Similarity NPD8034 Phase 2
0.6897 Remote Similarity NPD6412 Phase 2
0.6887 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6869 Remote Similarity NPD6942 Approved
0.6869 Remote Similarity NPD7339 Approved
0.6863 Remote Similarity NPD7525 Registered
0.6863 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4252 Approved
0.6857 Remote Similarity NPD1694 Approved
0.6838 Remote Similarity NPD6686 Approved
0.6829 Remote Similarity NPD4522 Approved
0.6827 Remote Similarity NPD4788 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3594143
ZINC  

Physicochemical Properties

Molecular Weight:  516.31
ALogP:  0.8856
MLogP:  3.99
XLogP:  3.318
# Rotatable Bonds:  16
Polar Surface Area:  132.13
# H-Bond Aceptor:  7
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  37

Download Data

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