Natural Product: NPC295244

Natural Product ID:  NPC295244
Common Name:   Ganoderic Acid Theta
IUPAC Name:   (E,4S,6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid
Synonyms:   Ganoderic Acid Theta
Molecular Formula:   C30H42O8
Standard InCHIKey:  FKJPUWHTFMQAOG-KXSJZLMNSA-N
Standard InCHI:  InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h11,14,16-17,19-20,25,31,33,36H,8-10,12-13H2,1-7H3,(H,37,38)/b15-11+/t14-,16+,17-,19+,20+,25-,28+,29+,30+/m1/s1
Canonical SMILES:  O[C@H](/C=C(/C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](O)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(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
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota TCM_Taiwan*
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 2.3 ug/ml 23092389

  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 NPC295244 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
0.9515 High Similarity NPC472928
0.9406 High Similarity NPC51452
0.9333 High Similarity NPC472929
0.9293 High Similarity NPC157787
0.9293 High Similarity NPC287833
0.9293 High Similarity NPC51370
0.9208 High Similarity NPC251017
0.9126 High Similarity NPC472925
0.9109 High Similarity NPC293753
0.9109 High Similarity NPC234892
0.91 High Similarity NPC88198
0.9091 High Similarity NPC43747
0.9074 High Similarity NPC472927
0.9074 High Similarity NPC472934
0.902 High Similarity NPC70967
0.902 High Similarity NPC33973
0.901 High Similarity NPC302537
0.901 High Similarity NPC163372
0.899 High Similarity NPC305483
0.899 High Similarity NPC40765
0.899 High Similarity NPC328162
0.899 High Similarity NPC472941
0.899 High Similarity NPC243525
0.899 High Similarity NPC96859
0.899 High Similarity NPC456
0.8962 High Similarity NPC115303
0.8952 High Similarity NPC286174
0.8952 High Similarity NPC77947
0.8932 High Similarity NPC135854
0.8932 High Similarity NPC2436
0.8932 High Similarity NPC470251
0.8932 High Similarity NPC216245
0.8922 High Similarity NPC119601
0.8922 High Similarity NPC195290
0.8922 High Similarity NPC308726
0.8922 High Similarity NPC204450
0.8911 High Similarity NPC327431
0.8909 High Similarity NPC472933
0.89 High Similarity NPC106557
0.8889 High Similarity NPC318282
0.8889 High Similarity NPC173875
0.8889 High Similarity NPC174948
0.8889 High Similarity NPC37646
0.8889 High Similarity NPC469995
0.8889 High Similarity NPC255809
0.8868 High Similarity NPC129689
0.8835 High Similarity NPC236390
0.8824 High Similarity NPC124211
0.8812 High Similarity NPC197386
0.8812 High Similarity NPC16021
0.88 High Similarity NPC3772
0.88 High Similarity NPC328371
0.8796 High Similarity NPC472926
0.8788 High Similarity NPC166906
0.8762 High Similarity NPC185
0.8738 High Similarity NPC53222
0.8738 High Similarity NPC136289
0.8725 High Similarity NPC299971
0.8725 High Similarity NPC144660
0.8725 High Similarity NPC476274
0.8713 High Similarity NPC122294
0.8713 High Similarity NPC320306
0.8713 High Similarity NPC121339
0.8704 High Similarity NPC264634
0.87 High Similarity NPC470016
0.87 High Similarity NPC317586
0.8692 High Similarity NPC473036
0.8692 High Similarity NPC272898
0.8687 High Similarity NPC69454
0.8654 High Similarity NPC55872
0.8641 High Similarity NPC476240
0.8641 High Similarity NPC472924
0.8641 High Similarity NPC224720
0.8641 High Similarity NPC81530
0.8641 High Similarity NPC476223
0.8627 High Similarity NPC10364
0.8627 High Similarity NPC471717
0.8614 High Similarity NPC95565
0.8614 High Similarity NPC249954
0.8586 High Similarity NPC63748
0.8586 High Similarity NPC107690
0.8585 High Similarity NPC473037
0.8571 High Similarity NPC28656
0.8559 High Similarity NPC471854
0.8558 High Similarity NPC281702
0.8558 High Similarity NPC473424
0.8544 High Similarity NPC205899
0.8544 High Similarity NPC307954
0.8544 High Similarity NPC316964
0.8532 High Similarity NPC147180
0.8529 High Similarity NPC216904
0.8515 High Similarity NPC259286
0.8515 High Similarity NPC297199
0.8515 High Similarity NPC241156
0.85 High Similarity NPC472930
0.85 High Similarity NPC470254
0.8491 Intermediate Similarity NPC323834
0.8476 Intermediate Similarity NPC111323
0.8476 Intermediate Similarity NPC311612
0.8447 Intermediate Similarity NPC478056
0.8447 Intermediate Similarity NPC235464
0.8447 Intermediate Similarity NPC112753
0.8447 Intermediate Similarity NPC166745
0.8447 Intermediate Similarity NPC114274
0.8447 Intermediate Similarity NPC275439
0.8431 Intermediate Similarity NPC125622
0.8431 Intermediate Similarity NPC117133
0.8431 Intermediate Similarity NPC192428
0.8426 Intermediate Similarity NPC214644
0.8416 Intermediate Similarity NPC469406
0.8416 Intermediate Similarity NPC184870
0.8411 Intermediate Similarity NPC475294
0.84 Intermediate Similarity NPC297265
0.84 Intermediate Similarity NPC168027
0.84 Intermediate Similarity NPC185936
0.8384 Intermediate Similarity NPC86319
0.8384 Intermediate Similarity NPC214387
0.8384 Intermediate Similarity NPC275740
0.8384 Intermediate Similarity NPC123912
0.8381 Intermediate Similarity NPC87351
0.8381 Intermediate Similarity NPC56498
0.8364 Intermediate Similarity NPC221144
0.8364 Intermediate Similarity NPC100267
0.8364 Intermediate Similarity NPC475524
0.835 Intermediate Similarity NPC226986
0.835 Intermediate Similarity NPC108078
0.835 Intermediate Similarity NPC23680
0.835 Intermediate Similarity NPC18319
0.835 Intermediate Similarity NPC253826
0.8349 Intermediate Similarity NPC286880
0.8333 Intermediate Similarity NPC472932
0.8333 Intermediate Similarity NPC109973
0.8319 Intermediate Similarity NPC311554
0.8319 Intermediate Similarity NPC257457
0.8317 Intermediate Similarity NPC25750
0.8317 Intermediate Similarity NPC214697
0.8304 Intermediate Similarity NPC148458
0.8302 Intermediate Similarity NPC247957
0.8302 Intermediate Similarity NPC249187
0.83 Intermediate Similarity NPC477147
0.83 Intermediate Similarity NPC477149
0.83 Intermediate Similarity NPC48010
0.83 Intermediate Similarity NPC469400
0.8283 Intermediate Similarity NPC242864
0.8283 Intermediate Similarity NPC471722
0.8283 Intermediate Similarity NPC131470
0.8283 Intermediate Similarity NPC143767
0.8269 Intermediate Similarity NPC147954
0.8269 Intermediate Similarity NPC48647
0.8252 Intermediate Similarity NPC173272
0.8252 Intermediate Similarity NPC301534
0.8252 Intermediate Similarity NPC7124
0.8252 Intermediate Similarity NPC250757
0.8252 Intermediate Similarity NPC471463
0.8235 Intermediate Similarity NPC245972
0.8235 Intermediate Similarity NPC196485
0.8224 Intermediate Similarity NPC72255
0.8218 Intermediate Similarity NPC212948
0.8218 Intermediate Similarity NPC473998
0.8218 Intermediate Similarity NPC212301
0.8218 Intermediate Similarity NPC233116
0.8218 Intermediate Similarity NPC86266
0.8218 Intermediate Similarity NPC110657
0.8208 Intermediate Similarity NPC477915
0.82 Intermediate Similarity NPC309603
0.82 Intermediate Similarity NPC473999
0.82 Intermediate Similarity NPC472240
0.82 Intermediate Similarity NPC262858
0.82 Intermediate Similarity NPC146554
0.8198 Intermediate Similarity NPC71348
0.819 Intermediate Similarity NPC198880
0.8182 Intermediate Similarity NPC159046
0.8182 Intermediate Similarity NPC37116
0.8182 Intermediate Similarity NPC233836
0.8182 Intermediate Similarity NPC187376
0.8173 Intermediate Similarity NPC141401
0.8165 Intermediate Similarity NPC65941
0.8155 Intermediate Similarity NPC271195
0.8155 Intermediate Similarity NPC48330
0.8155 Intermediate Similarity NPC476174
0.8148 Intermediate Similarity NPC149047
0.8148 Intermediate Similarity NPC472935
0.8148 Intermediate Similarity NPC257353
0.8142 Intermediate Similarity NPC270958
0.8137 Intermediate Similarity NPC170220
0.8137 Intermediate Similarity NPC107674
0.8137 Intermediate Similarity NPC141497
0.8131 Intermediate Similarity NPC275583
0.8125 Intermediate Similarity NPC108721
0.8125 Intermediate Similarity NPC250109
0.8125 Intermediate Similarity NPC202889
0.8125 Intermediate Similarity NPC962
0.8125 Intermediate Similarity NPC73300
0.8119 Intermediate Similarity NPC191684
0.8119 Intermediate Similarity NPC183283
0.8113 Intermediate Similarity NPC115862
0.8113 Intermediate Similarity NPC473514
0.8113 Intermediate Similarity NPC99411
0.81 Intermediate Similarity NPC328539
0.8095 Intermediate Similarity NPC103051

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC295244 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
0.844 Intermediate Similarity NPD6649 Approved
0.844 Intermediate Similarity NPD6650 Approved
0.8431 Intermediate Similarity NPD4697 Phase 3
0.8426 Intermediate Similarity NPD6372 Approved
0.8426 Intermediate Similarity NPD6373 Approved
0.8252 Intermediate Similarity NPD5222 Approved
0.8252 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8252 Intermediate Similarity NPD5221 Approved
0.8218 Intermediate Similarity NPD6079 Approved
0.8208 Intermediate Similarity NPD5211 Phase 2
0.82 Intermediate Similarity NPD5328 Approved
0.8173 Intermediate Similarity NPD5173 Approved
0.8165 Intermediate Similarity NPD6881 Approved
0.8165 Intermediate Similarity NPD6899 Approved
0.8148 Intermediate Similarity NPD6675 Approved
0.8148 Intermediate Similarity NPD7128 Approved
0.8148 Intermediate Similarity NPD6402 Approved
0.8148 Intermediate Similarity NPD5739 Approved
0.8073 Intermediate Similarity NPD5697 Approved
0.8056 Intermediate Similarity NPD5141 Approved
0.8036 Intermediate Similarity NPD6882 Approved
0.8036 Intermediate Similarity NPD8297 Approved
0.8019 Intermediate Similarity NPD5285 Approved
0.8019 Intermediate Similarity NPD5286 Approved
0.8019 Intermediate Similarity NPD4696 Approved
0.8018 Intermediate Similarity NPD7290 Approved
0.8018 Intermediate Similarity NPD6883 Approved
0.8018 Intermediate Similarity NPD7102 Approved
0.8 Intermediate Similarity NPD6011 Approved
0.8 Intermediate Similarity NPD4755 Approved
0.8 Intermediate Similarity NPD7320 Approved
0.7961 Intermediate Similarity NPD6399 Phase 3
0.7946 Intermediate Similarity NPD8130 Phase 1
0.7946 Intermediate Similarity NPD6847 Approved
0.7946 Intermediate Similarity NPD6869 Approved
0.7946 Intermediate Similarity NPD6617 Approved
0.7944 Intermediate Similarity NPD5223 Approved
0.7928 Intermediate Similarity NPD6013 Approved
0.7928 Intermediate Similarity NPD6014 Approved
0.7928 Intermediate Similarity NPD6012 Approved
0.7909 Intermediate Similarity NPD5701 Approved
0.79 Intermediate Similarity NPD3618 Phase 1
0.787 Intermediate Similarity NPD5225 Approved
0.787 Intermediate Similarity NPD5226 Approved
0.787 Intermediate Similarity NPD5224 Approved
0.787 Intermediate Similarity NPD4633 Approved
0.785 Intermediate Similarity NPD4700 Approved
0.781 Intermediate Similarity NPD5210 Approved
0.781 Intermediate Similarity NPD4629 Approved
0.7798 Intermediate Similarity NPD5174 Approved
0.7798 Intermediate Similarity NPD5175 Approved
0.7788 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD7115 Discovery
0.7757 Intermediate Similarity NPD5696 Approved
0.7723 Intermediate Similarity NPD5279 Phase 3
0.77 Intermediate Similarity NPD4786 Approved
0.7692 Intermediate Similarity NPD7515 Phase 2
0.7679 Intermediate Similarity NPD4729 Approved
0.7679 Intermediate Similarity NPD4730 Approved
0.7672 Intermediate Similarity NPD6868 Approved
0.7664 Intermediate Similarity NPD6084 Phase 2
0.7664 Intermediate Similarity NPD6083 Phase 2
0.7658 Intermediate Similarity NPD4767 Approved
0.7658 Intermediate Similarity NPD4768 Approved
0.7652 Intermediate Similarity NPD4632 Approved
0.7642 Intermediate Similarity NPD5695 Phase 3
0.7636 Intermediate Similarity NPD4754 Approved
0.7573 Intermediate Similarity NPD5737 Approved
0.7573 Intermediate Similarity NPD6672 Approved
0.7544 Intermediate Similarity NPD5251 Approved
0.7544 Intermediate Similarity NPD5250 Approved
0.7544 Intermediate Similarity NPD5248 Approved
0.7544 Intermediate Similarity NPD5247 Approved
0.7544 Intermediate Similarity NPD5249 Phase 3
0.7542 Intermediate Similarity NPD6335 Approved
0.7523 Intermediate Similarity NPD7640 Approved
0.7523 Intermediate Similarity NPD7639 Approved
0.7522 Intermediate Similarity NPD5168 Approved
0.7522 Intermediate Similarity NPD5128 Approved
0.7521 Intermediate Similarity NPD6274 Approved
0.75 Intermediate Similarity NPD4753 Phase 2
0.75 Intermediate Similarity NPD7902 Approved
0.75 Intermediate Similarity NPD3667 Approved
0.7479 Intermediate Similarity NPD7100 Approved
0.7479 Intermediate Similarity NPD7101 Approved
0.7458 Intermediate Similarity NPD6009 Approved
0.7458 Intermediate Similarity NPD6317 Approved
0.7453 Intermediate Similarity NPD4202 Approved
0.7431 Intermediate Similarity NPD7638 Approved
0.7417 Intermediate Similarity NPD6319 Approved
0.7395 Intermediate Similarity NPD6313 Approved
0.7395 Intermediate Similarity NPD6314 Approved
0.7391 Intermediate Similarity NPD5169 Approved
0.7391 Intermediate Similarity NPD5135 Approved
0.7391 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD4634 Approved
0.7383 Intermediate Similarity NPD7748 Approved
0.7379 Intermediate Similarity NPD5690 Phase 2
0.7358 Intermediate Similarity NPD5281 Approved
0.7358 Intermediate Similarity NPD5284 Approved
0.7355 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD3666 Approved
0.7353 Intermediate Similarity NPD3665 Phase 1
0.7353 Intermediate Similarity NPD3133 Approved
0.7345 Intermediate Similarity NPD6008 Approved
0.7328 Intermediate Similarity NPD5215 Approved
0.7328 Intermediate Similarity NPD5127 Approved
0.7328 Intermediate Similarity NPD5216 Approved
0.7328 Intermediate Similarity NPD5217 Approved
0.7282 Intermediate Similarity NPD5329 Approved
0.7282 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD7260 Phase 2
0.7236 Intermediate Similarity NPD7604 Phase 2
0.7222 Intermediate Similarity NPD7900 Approved
0.7222 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD6908 Approved
0.7213 Intermediate Similarity NPD5983 Phase 2
0.7213 Intermediate Similarity NPD6909 Approved
0.7212 Intermediate Similarity NPD6409 Approved
0.7212 Intermediate Similarity NPD7146 Approved
0.7212 Intermediate Similarity NPD5280 Approved
0.7212 Intermediate Similarity NPD6684 Approved
0.7212 Intermediate Similarity NPD7334 Approved
0.7212 Intermediate Similarity NPD5330 Approved
0.7212 Intermediate Similarity NPD7521 Approved
0.7212 Intermediate Similarity NPD4694 Approved
0.7212 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD8034 Phase 2
0.7196 Intermediate Similarity NPD8035 Phase 2
0.7196 Intermediate Similarity NPD6050 Approved
0.7184 Intermediate Similarity NPD4197 Approved
0.7177 Intermediate Similarity NPD7492 Approved
0.717 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD6904 Approved
0.717 Intermediate Similarity NPD6673 Approved
0.717 Intermediate Similarity NPD6080 Approved
0.7156 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5167 Approved
0.7131 Intermediate Similarity NPD6054 Approved
0.7129 Intermediate Similarity NPD4695 Discontinued
0.712 Intermediate Similarity NPD6336 Discontinued
0.712 Intermediate Similarity NPD6616 Approved
0.7117 Intermediate Similarity NPD4225 Approved
0.7115 Intermediate Similarity NPD5363 Approved
0.7103 Intermediate Similarity NPD5692 Phase 3
0.7103 Intermediate Similarity NPD5785 Approved
0.71 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6903 Approved
0.7075 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD7078 Approved
0.7054 Intermediate Similarity NPD6404 Discontinued
0.7048 Intermediate Similarity NPD5786 Approved
0.7037 Intermediate Similarity NPD5694 Approved
0.7037 Intermediate Similarity NPD6411 Approved
0.7037 Intermediate Similarity NPD5693 Phase 1
0.7019 Intermediate Similarity NPD3668 Phase 3
0.7016 Intermediate Similarity NPD6370 Approved
0.7008 Intermediate Similarity NPD7736 Approved
0.6992 Remote Similarity NPD6059 Approved
0.699 Remote Similarity NPD4221 Approved
0.699 Remote Similarity NPD4223 Phase 3
0.6981 Remote Similarity NPD3573 Approved
0.6972 Remote Similarity NPD5779 Approved
0.6972 Remote Similarity NPD5778 Approved
0.6952 Remote Similarity NPD1694 Approved
0.6952 Remote Similarity NPD1696 Phase 3
0.6937 Remote Similarity NPD7614 Phase 1
0.6935 Remote Similarity NPD6016 Approved
0.6935 Remote Similarity NPD6015 Approved
0.6931 Remote Similarity NPD3617 Approved
0.693 Remote Similarity NPD7632 Discontinued
0.693 Remote Similarity NPD5091 Approved
0.6929 Remote Similarity NPD8293 Discontinued
0.6923 Remote Similarity NPD6845 Suspended
0.6887 Remote Similarity NPD6098 Approved
0.688 Remote Similarity NPD5988 Approved
0.6852 Remote Similarity NPD6101 Approved
0.6852 Remote Similarity NPD5764 Clinical (unspecified phase)
0.685 Remote Similarity NPD7507 Approved
0.6838 Remote Similarity NPD6614 Approved
0.6833 Remote Similarity NPD6053 Discontinued
0.6827 Remote Similarity NPD4269 Approved
0.6827 Remote Similarity NPD4270 Approved
0.6825 Remote Similarity NPD8328 Phase 3
0.68 Remote Similarity NPD6942 Approved
0.68 Remote Similarity NPD7339 Approved
0.6796 Remote Similarity NPD7525 Registered
0.6796 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6789 Remote Similarity NPD5207 Approved
0.6762 Remote Similarity NPD5362 Discontinued
0.6762 Remote Similarity NPD4788 Approved
0.6757 Remote Similarity NPD6001 Approved
0.6733 Remote Similarity NPD6117 Approved
0.6729 Remote Similarity NPD4519 Discontinued
0.6729 Remote Similarity NPD4689 Approved
0.6729 Remote Similarity NPD5205 Approved
0.6729 Remote Similarity NPD4693 Phase 3
0.6729 Remote Similarity NPD4688 Approved
0.6729 Remote Similarity NPD4138 Approved
0.6729 Remote Similarity NPD4623 Approved

Structure

External Identifiers

PubChem CID   15427811
ChEMBL   CHEMBL2205005
ZINC  

Physicochemical Properties

Molecular Weight:  530.29
ALogP:  0.1194
MLogP:  3.88
XLogP:  1.835
# Rotatable Bonds:  16
Polar Surface Area:  149.2
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# 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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