Natural Product: NPC472934

Natural Product ID:  NPC472934
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C36H48O12
Standard InCHIKey:  KQPHEVLEJQGFTM-JSMRCVIMSA-N
Standard InCHI:  InChI=1S/C36H48O12/c1-18(9-8-10-19(2)31(45)46)20-13-24(39)36(7)27-21(37)14-22-33(4,28(27)29(43)30(44)35(20,36)6)12-11-23(38)34(22,5)17-48-26(42)16-32(3,47)15-25(40)41/h10,18,20,22,30,44,47H,8-9,11-17H2,1-7H3,(H,40,41)(H,45,46)/b19-10+/t18-,20-,22-,30+,32+,33+,34+,35+,36+/m1/s1
Canonical SMILES:  O=C(C[C@](CC(=O)O)(O)C)OC[C@]1(C)C(=O)CC[C@]2([C@H]1CC(=O)C1=C2C(=O)[C@@H]([C@]2([C@@]1(C)C(=O)C[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 20846761
NPT111 Cell Line K562 Homo sapiens IC50 = 22600 nM 19140696
NPT1088 Individual Protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase Sus scrofa IC50 = 10700 nM 18077425
NPT2 Others Unspecified IC50 > 50000 nM 15497941

  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 NPC472934 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
0.9636 High Similarity NPC472933
0.9537 High Similarity NPC472929
0.9455 High Similarity NPC472927
0.9182 High Similarity NPC472926
0.9174 High Similarity NPC472928
0.9074 High Similarity NPC295244
0.9065 High Similarity NPC472935
0.9 High Similarity NPC115303
0.8909 High Similarity NPC129689
0.8818 High Similarity NPC77947
0.8818 High Similarity NPC286174
0.8807 High Similarity NPC472925
0.8772 High Similarity NPC239273
0.8716 High Similarity NPC51452
0.8684 High Similarity NPC148458
0.8649 High Similarity NPC304495
0.8624 High Similarity NPC216245
0.8624 High Similarity NPC470251
0.8624 High Similarity NPC135854
0.8624 High Similarity NPC2436
0.8611 High Similarity NPC473788
0.8611 High Similarity NPC53222
0.8611 High Similarity NPC475558
0.8609 High Similarity NPC471854
0.8584 High Similarity NPC475524
0.8584 High Similarity NPC100267
0.8584 High Similarity NPC221144
0.8571 High Similarity NPC272898
0.8571 High Similarity NPC473036
0.8532 High Similarity NPC70967
0.8532 High Similarity NPC251017
0.8532 High Similarity NPC33973
0.8519 High Similarity NPC124211
0.8468 Intermediate Similarity NPC475294
0.8468 Intermediate Similarity NPC473037
0.844 Intermediate Similarity NPC234892
0.844 Intermediate Similarity NPC119601
0.844 Intermediate Similarity NPC281702
0.844 Intermediate Similarity NPC308726
0.844 Intermediate Similarity NPC293753
0.8426 Intermediate Similarity NPC476274
0.8426 Intermediate Similarity NPC241221
0.8426 Intermediate Similarity NPC157787
0.8426 Intermediate Similarity NPC51370
0.8426 Intermediate Similarity NPC88198
0.8426 Intermediate Similarity NPC287833
0.8421 Intermediate Similarity NPC264634
0.8421 Intermediate Similarity NPC147180
0.8411 Intermediate Similarity NPC43747
0.839 Intermediate Similarity NPC109973
0.8387 Intermediate Similarity NPC469674
0.8378 Intermediate Similarity NPC475494
0.8378 Intermediate Similarity NPC196528
0.8376 Intermediate Similarity NPC257457
0.8376 Intermediate Similarity NPC311554
0.8349 Intermediate Similarity NPC224720
0.8349 Intermediate Similarity NPC476240
0.8349 Intermediate Similarity NPC472924
0.8349 Intermediate Similarity NPC473514
0.8349 Intermediate Similarity NPC163372
0.8349 Intermediate Similarity NPC302537
0.8349 Intermediate Similarity NPC476223
0.8348 Intermediate Similarity NPC159333
0.8348 Intermediate Similarity NPC52634
0.8333 Intermediate Similarity NPC275439
0.8333 Intermediate Similarity NPC112753
0.8319 Intermediate Similarity NPC470921
0.8304 Intermediate Similarity NPC185
0.8304 Intermediate Similarity NPC91034
0.8291 Intermediate Similarity NPC243065
0.8288 Intermediate Similarity NPC96268
0.8279 Intermediate Similarity NPC470882
0.8279 Intermediate Similarity NPC473265
0.8276 Intermediate Similarity NPC470953
0.8273 Intermediate Similarity NPC136289
0.8261 Intermediate Similarity NPC280782
0.8257 Intermediate Similarity NPC144660
0.8257 Intermediate Similarity NPC299971
0.8257 Intermediate Similarity NPC327431
0.8257 Intermediate Similarity NPC307954
0.825 Intermediate Similarity NPC222688
0.8241 Intermediate Similarity NPC216904
0.8241 Intermediate Similarity NPC121339
0.8241 Intermediate Similarity NPC106557
0.8235 Intermediate Similarity NPC476962
0.822 Intermediate Similarity NPC21326
0.8205 Intermediate Similarity NPC270958
0.8205 Intermediate Similarity NPC270929
0.8198 Intermediate Similarity NPC311612
0.8198 Intermediate Similarity NPC236390
0.8198 Intermediate Similarity NPC159442
0.8198 Intermediate Similarity NPC111323
0.819 Intermediate Similarity NPC122056
0.819 Intermediate Similarity NPC962
0.819 Intermediate Similarity NPC202889
0.8182 Intermediate Similarity NPC81530
0.8182 Intermediate Similarity NPC146822
0.8182 Intermediate Similarity NPC469789
0.8174 Intermediate Similarity NPC474315
0.8174 Intermediate Similarity NPC34315
0.8167 Intermediate Similarity NPC202051
0.8167 Intermediate Similarity NPC46570
0.8165 Intermediate Similarity NPC197386
0.8165 Intermediate Similarity NPC16021
0.8158 Intermediate Similarity NPC250018
0.8151 Intermediate Similarity NPC268958
0.8151 Intermediate Similarity NPC476960
0.8148 Intermediate Similarity NPC472941
0.8148 Intermediate Similarity NPC243525
0.8148 Intermediate Similarity NPC328162
0.8148 Intermediate Similarity NPC456
0.8148 Intermediate Similarity NPC3772
0.8148 Intermediate Similarity NPC40765
0.8148 Intermediate Similarity NPC328371
0.8148 Intermediate Similarity NPC305483
0.8148 Intermediate Similarity NPC96859
0.8145 Intermediate Similarity NPC470880
0.8142 Intermediate Similarity NPC220974
0.813 Intermediate Similarity NPC473253
0.8125 Intermediate Similarity NPC28656
0.8125 Intermediate Similarity NPC98603
0.812 Intermediate Similarity NPC147912
0.812 Intermediate Similarity NPC474181
0.812 Intermediate Similarity NPC67259
0.8115 Intermediate Similarity NPC8369
0.8108 Intermediate Similarity NPC56498
0.8108 Intermediate Similarity NPC195290
0.8108 Intermediate Similarity NPC204450
0.8108 Intermediate Similarity NPC475320
0.8108 Intermediate Similarity NPC87351
0.8103 Intermediate Similarity NPC71348
0.8103 Intermediate Similarity NPC170487
0.8103 Intermediate Similarity NPC285956
0.8099 Intermediate Similarity NPC107493
0.8099 Intermediate Similarity NPC470419
0.8099 Intermediate Similarity NPC269642
0.8099 Intermediate Similarity NPC23786
0.8099 Intermediate Similarity NPC470265
0.8099 Intermediate Similarity NPC19464
0.8095 Intermediate Similarity NPC469673
0.8091 Intermediate Similarity NPC198880
0.8087 Intermediate Similarity NPC197428
0.8087 Intermediate Similarity NPC473627
0.8087 Intermediate Similarity NPC37116
0.8087 Intermediate Similarity NPC286880
0.8083 Intermediate Similarity NPC476961
0.8083 Intermediate Similarity NPC17938
0.808 Intermediate Similarity NPC196921
0.808 Intermediate Similarity NPC220757
0.8073 Intermediate Similarity NPC122294
0.8073 Intermediate Similarity NPC320306
0.807 Intermediate Similarity NPC71220
0.807 Intermediate Similarity NPC137286
0.807 Intermediate Similarity NPC322903
0.8067 Intermediate Similarity NPC118638
0.8067 Intermediate Similarity NPC329736
0.8067 Intermediate Similarity NPC251310
0.8056 Intermediate Similarity NPC255809
0.8056 Intermediate Similarity NPC318282
0.8056 Intermediate Similarity NPC37646
0.8056 Intermediate Similarity NPC469995
0.8056 Intermediate Similarity NPC470016
0.8056 Intermediate Similarity NPC317586
0.8056 Intermediate Similarity NPC174948
0.8056 Intermediate Similarity NPC173875
0.8053 Intermediate Similarity NPC1679
0.8053 Intermediate Similarity NPC323834
0.8051 Intermediate Similarity NPC266728
0.8051 Intermediate Similarity NPC49492
0.8051 Intermediate Similarity NPC476963
0.8049 Intermediate Similarity NPC293112
0.8049 Intermediate Similarity NPC473635
0.8036 Intermediate Similarity NPC95899
0.8036 Intermediate Similarity NPC478057
0.8036 Intermediate Similarity NPC55872
0.8036 Intermediate Similarity NPC216114
0.8036 Intermediate Similarity NPC247957
0.8036 Intermediate Similarity NPC275583
0.8036 Intermediate Similarity NPC249187
0.8036 Intermediate Similarity NPC72151
0.8034 Intermediate Similarity NPC326264
0.8034 Intermediate Similarity NPC250109
0.8034 Intermediate Similarity NPC25909
0.8033 Intermediate Similarity NPC67251
0.8033 Intermediate Similarity NPC11895
0.8033 Intermediate Similarity NPC120724
0.8031 Intermediate Similarity NPC476823
0.8018 Intermediate Similarity NPC99411
0.8018 Intermediate Similarity NPC115862
0.8017 Intermediate Similarity NPC471999
0.8017 Intermediate Similarity NPC472000
0.8017 Intermediate Similarity NPC470418
0.8017 Intermediate Similarity NPC43775
0.8017 Intermediate Similarity NPC214797
0.8017 Intermediate Similarity NPC472001
0.8017 Intermediate Similarity NPC67569
0.8017 Intermediate Similarity NPC472401
0.8017 Intermediate Similarity NPC118860
0.8017 Intermediate Similarity NPC231589
0.8016 Intermediate Similarity NPC34963

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472934 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 NPD6650 Approved
0.8333 Intermediate Similarity NPD6649 Approved
0.8319 Intermediate Similarity NPD6372 Approved
0.8319 Intermediate Similarity NPD6373 Approved
0.8103 Intermediate Similarity NPD8297 Approved
0.807 Intermediate Similarity NPD6881 Approved
0.807 Intermediate Similarity NPD6899 Approved
0.8053 Intermediate Similarity NPD6675 Approved
0.8053 Intermediate Similarity NPD6402 Approved
0.8053 Intermediate Similarity NPD5739 Approved
0.8053 Intermediate Similarity NPD7128 Approved
0.8017 Intermediate Similarity NPD8130 Phase 1
0.7983 Intermediate Similarity NPD7115 Discovery
0.7982 Intermediate Similarity NPD5697 Approved
0.7949 Intermediate Similarity NPD6882 Approved
0.7934 Intermediate Similarity NPD6319 Approved
0.7931 Intermediate Similarity NPD7290 Approved
0.7931 Intermediate Similarity NPD7102 Approved
0.7931 Intermediate Similarity NPD6883 Approved
0.7913 Intermediate Similarity NPD7320 Approved
0.7863 Intermediate Similarity NPD6869 Approved
0.7863 Intermediate Similarity NPD6847 Approved
0.7863 Intermediate Similarity NPD6617 Approved
0.7845 Intermediate Similarity NPD6013 Approved
0.7845 Intermediate Similarity NPD6014 Approved
0.7845 Intermediate Similarity NPD6012 Approved
0.7838 Intermediate Similarity NPD5696 Approved
0.7826 Intermediate Similarity NPD5701 Approved
0.7788 Intermediate Similarity NPD5211 Phase 2
0.7759 Intermediate Similarity NPD6011 Approved
0.7748 Intermediate Similarity NPD6084 Phase 2
0.7748 Intermediate Similarity NPD6083 Phase 2
0.7727 Intermediate Similarity NPD5695 Phase 3
0.7706 Intermediate Similarity NPD6399 Phase 3
0.768 Intermediate Similarity NPD7492 Approved
0.7658 Intermediate Similarity NPD4697 Phase 3
0.7652 Intermediate Similarity NPD5141 Approved
0.7642 Intermediate Similarity NPD6054 Approved
0.7638 Intermediate Similarity NPD7736 Approved
0.7619 Intermediate Similarity NPD6616 Approved
0.7611 Intermediate Similarity NPD5285 Approved
0.7611 Intermediate Similarity NPD5286 Approved
0.7611 Intermediate Similarity NPD4696 Approved
0.7589 Intermediate Similarity NPD4755 Approved
0.7583 Intermediate Similarity NPD4632 Approved
0.7568 Intermediate Similarity NPD5210 Approved
0.7568 Intermediate Similarity NPD4629 Approved
0.7563 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7559 Intermediate Similarity NPD7078 Approved
0.7559 Intermediate Similarity NPD8293 Discontinued
0.752 Intermediate Similarity NPD6370 Approved
0.75 Intermediate Similarity NPD6059 Approved
0.75 Intermediate Similarity NPD5222 Approved
0.75 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5221 Approved
0.7479 Intermediate Similarity NPD4634 Approved
0.7478 Intermediate Similarity NPD5226 Approved
0.7478 Intermediate Similarity NPD5224 Approved
0.7478 Intermediate Similarity NPD4633 Approved
0.7478 Intermediate Similarity NPD5225 Approved
0.7459 Intermediate Similarity NPD6274 Approved
0.7456 Intermediate Similarity NPD4700 Approved
0.7456 Intermediate Similarity NPD7639 Approved
0.7456 Intermediate Similarity NPD7640 Approved
0.7455 Intermediate Similarity NPD6079 Approved
0.744 Intermediate Similarity NPD6015 Approved
0.744 Intermediate Similarity NPD6016 Approved
0.7436 Intermediate Similarity NPD6008 Approved
0.7434 Intermediate Similarity NPD5173 Approved
0.7431 Intermediate Similarity NPD5328 Approved
0.7419 Intermediate Similarity NPD7101 Approved
0.7419 Intermediate Similarity NPD7100 Approved
0.7414 Intermediate Similarity NPD5175 Approved
0.7414 Intermediate Similarity NPD5174 Approved
0.7398 Intermediate Similarity NPD6009 Approved
0.7391 Intermediate Similarity NPD5223 Approved
0.7387 Intermediate Similarity NPD5778 Approved
0.7387 Intermediate Similarity NPD5779 Approved
0.7381 Intermediate Similarity NPD5988 Approved
0.7368 Intermediate Similarity NPD7638 Approved
0.7339 Intermediate Similarity NPD5737 Approved
0.7339 Intermediate Similarity NPD6335 Approved
0.7339 Intermediate Similarity NPD6672 Approved
0.7323 Intermediate Similarity NPD8328 Phase 3
0.7323 Intermediate Similarity NPD7604 Phase 2
0.7317 Intermediate Similarity NPD6868 Approved
0.7311 Intermediate Similarity NPD4730 Approved
0.7311 Intermediate Similarity NPD4729 Approved
0.7302 Intermediate Similarity NPD5983 Phase 2
0.7297 Intermediate Similarity NPD6411 Approved
0.7288 Intermediate Similarity NPD4768 Approved
0.7288 Intermediate Similarity NPD4767 Approved
0.7281 Intermediate Similarity NPD7902 Approved
0.7273 Intermediate Similarity NPD4753 Phase 2
0.7258 Intermediate Similarity NPD6317 Approved
0.7217 Intermediate Similarity NPD4225 Approved
0.7213 Intermediate Similarity NPD6053 Discontinued
0.7209 Intermediate Similarity NPD6336 Discontinued
0.72 Intermediate Similarity NPD6313 Approved
0.72 Intermediate Similarity NPD6314 Approved
0.7197 Intermediate Similarity NPD7260 Phase 2
0.719 Intermediate Similarity NPD5251 Approved
0.719 Intermediate Similarity NPD5250 Approved
0.719 Intermediate Similarity NPD5249 Phase 3
0.719 Intermediate Similarity NPD5247 Approved
0.719 Intermediate Similarity NPD5248 Approved
0.7176 Intermediate Similarity NPD7319 Approved
0.7168 Intermediate Similarity NPD7748 Approved
0.7167 Intermediate Similarity NPD5128 Approved
0.7165 Intermediate Similarity NPD6908 Approved
0.7165 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD6909 Approved
0.7156 Intermediate Similarity NPD5279 Phase 3
0.7156 Intermediate Similarity NPD3618 Phase 1
0.7143 Intermediate Similarity NPD6050 Approved
0.713 Intermediate Similarity NPD4786 Approved
0.7119 Intermediate Similarity NPD4754 Approved
0.7117 Intermediate Similarity NPD6673 Approved
0.7117 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6080 Approved
0.7117 Intermediate Similarity NPD6101 Approved
0.7117 Intermediate Similarity NPD6904 Approved
0.7077 Intermediate Similarity NPD7507 Approved
0.7054 Intermediate Similarity NPD5785 Approved
0.7054 Intermediate Similarity NPD5692 Phase 3
0.7025 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7900 Approved
0.7018 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5786 Approved
0.7 Intermediate Similarity NPD5690 Phase 2
0.7 Intermediate Similarity NPD7146 Approved
0.7 Intermediate Similarity NPD6684 Approved
0.7 Intermediate Similarity NPD7521 Approved
0.7 Intermediate Similarity NPD5330 Approved
0.7 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6409 Approved
0.7 Intermediate Similarity NPD7334 Approved
0.6992 Remote Similarity NPD5215 Approved
0.6992 Remote Similarity NPD5216 Approved
0.6992 Remote Similarity NPD5217 Approved
0.6991 Remote Similarity NPD5281 Approved
0.6991 Remote Similarity NPD5693 Phase 1
0.6991 Remote Similarity NPD8035 Phase 2
0.6991 Remote Similarity NPD7515 Phase 2
0.6991 Remote Similarity NPD7637 Suspended
0.6991 Remote Similarity NPD8034 Phase 2
0.6991 Remote Similarity NPD5694 Approved
0.6991 Remote Similarity NPD5284 Approved
0.6984 Remote Similarity NPD8295 Clinical (unspecified phase)
0.697 Remote Similarity NPD6033 Approved
0.6957 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6944 Remote Similarity NPD3667 Approved
0.6942 Remote Similarity NPD7899 Clinical (unspecified phase)
0.693 Remote Similarity NPD4202 Approved
0.6911 Remote Similarity NPD5169 Approved
0.6911 Remote Similarity NPD5135 Approved
0.6911 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6911 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6911 Remote Similarity NPD6371 Approved
0.6909 Remote Similarity NPD5329 Approved
0.6909 Remote Similarity NPD5363 Approved
0.6891 Remote Similarity NPD7632 Discontinued
0.6889 Remote Similarity NPD6845 Suspended
0.6885 Remote Similarity NPD5168 Approved
0.6885 Remote Similarity NPD6686 Approved
0.6875 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6903 Approved
0.6855 Remote Similarity NPD5127 Approved
0.6847 Remote Similarity NPD6098 Approved
0.6847 Remote Similarity NPD5280 Approved
0.6847 Remote Similarity NPD4694 Approved
0.6829 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6818 Remote Similarity NPD3665 Phase 1
0.6818 Remote Similarity NPD4197 Approved
0.6818 Remote Similarity NPD3666 Approved
0.6818 Remote Similarity NPD3133 Approved
0.681 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6412 Phase 2
0.6803 Remote Similarity NPD6614 Approved
0.6786 Remote Similarity NPD3573 Approved
0.6769 Remote Similarity NPD8517 Approved
0.6769 Remote Similarity NPD8515 Approved
0.6769 Remote Similarity NPD8516 Approved
0.6769 Remote Similarity NPD8513 Phase 3
0.6754 Remote Similarity NPD5207 Approved
0.6724 Remote Similarity NPD5282 Discontinued
0.6696 Remote Similarity NPD7983 Approved
0.6694 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6693 Remote Similarity NPD5167 Approved
0.6667 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5654 Approved
0.6643 Remote Similarity NPD6333 Approved
0.6643 Remote Similarity NPD6334 Approved
0.6641 Remote Similarity NPD8033 Approved
0.6636 Remote Similarity NPD4270 Approved
0.6636 Remote Similarity NPD4269 Approved
0.6636 Remote Similarity NPD4221 Approved
0.6636 Remote Similarity NPD4223 Phase 3
0.6612 Remote Similarity NPD5091 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3594152
ZINC  

Physicochemical Properties

Molecular Weight:  672.31
ALogP:  0.258
MLogP:  4.1
XLogP:  1.348
# Rotatable Bonds:  23
Polar Surface Area:  209.64
# H-Bond Aceptor:  12
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  48

Download Data

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