Natural Product: NPC134067

Natural Product ID:  NPC134067
Common Name:   Pouogenin A
IUPAC Name:   [(1S,2S,4S)-2-[(3E,6R,7E,9S)-6,9-dihydroxy-3,8-dimethyl-10-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]deca-3,7-dienyl]-4-hydroxy-1,3,3-trimethylcyclohexyl] acetate
Synonyms:   Pouogenin A
Molecular Formula:   C32H52O6
Standard InCHIKey:  OWTUXEJSNHQPGD-UMZIEWCISA-N
Standard InCHI:  InChI=1S/C32H52O6/c1-20(11-14-27-31(7,8)29(37)16-17-32(27,9)38-23(4)33)10-13-24(34)18-22(3)26(35)19-25-21(2)12-15-28(36)30(25,5)6/h10,12,18,24-27,29,34-35,37H,11,13-17,19H2,1-9H3/b20-10+,22-18+/t24-,25-,26+,27+,29+,32+/m1/s1
Canonical SMILES:  C/C(=CC[C@H](/C=C(/[C@H](C[C@@H]1C(=CCC(=O)C1(C)C)C)O)C)O)/CC[C@@H]1[C@](C)(CC[C@@H](C1(C)C)O)OC(=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
NPO33227 Lipastrotethya sp. Species NA NA Micronesia PMID[22148280]
NPO30078 Lipastrotethya NA NA NA PMID[22148280]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 = 14800 nM 22148280

  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 NPC134067 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
0.9778 High Similarity NPC254496
0.956 High Similarity NPC285513
0.9167 High Similarity NPC118911
0.9053 High Similarity NPC115862
0.8876 High Similarity NPC473226
0.8866 High Similarity NPC90177
0.8763 High Similarity NPC136289
0.8723 High Similarity NPC266899
0.866 High Similarity NPC81530
0.8617 High Similarity NPC470958
0.8617 High Similarity NPC470957
0.8557 High Similarity NPC476274
0.8544 High Similarity NPC174836
0.8526 High Similarity NPC53565
0.8511 High Similarity NPC477435
0.8511 High Similarity NPC477436
0.8495 Intermediate Similarity NPC134321
0.8495 Intermediate Similarity NPC232202
0.8469 Intermediate Similarity NPC476240
0.8469 Intermediate Similarity NPC476223
0.8469 Intermediate Similarity NPC224720
0.8462 Intermediate Similarity NPC322159
0.8462 Intermediate Similarity NPC73038
0.8462 Intermediate Similarity NPC202394
0.8462 Intermediate Similarity NPC325594
0.8454 Intermediate Similarity NPC260149
0.8454 Intermediate Similarity NPC58942
0.8454 Intermediate Similarity NPC478056
0.8444 Intermediate Similarity NPC40687
0.8438 Intermediate Similarity NPC327179
0.8421 Intermediate Similarity NPC472977
0.8421 Intermediate Similarity NPC472976
0.8404 Intermediate Similarity NPC472978
0.8387 Intermediate Similarity NPC472973
0.8384 Intermediate Similarity NPC119601
0.8384 Intermediate Similarity NPC308726
0.8381 Intermediate Similarity NPC181145
0.837 Intermediate Similarity NPC231599
0.8367 Intermediate Similarity NPC474718
0.8367 Intermediate Similarity NPC472644
0.8367 Intermediate Similarity NPC266955
0.8352 Intermediate Similarity NPC52628
0.8351 Intermediate Similarity NPC189880
0.8351 Intermediate Similarity NPC474343
0.8351 Intermediate Similarity NPC170131
0.8333 Intermediate Similarity NPC105173
0.8333 Intermediate Similarity NPC477437
0.8333 Intermediate Similarity NPC477438
0.8317 Intermediate Similarity NPC472645
0.8316 Intermediate Similarity NPC476416
0.8315 Intermediate Similarity NPC473420
0.8315 Intermediate Similarity NPC327002
0.8298 Intermediate Similarity NPC128672
0.8286 Intermediate Similarity NPC75167
0.8286 Intermediate Similarity NPC311592
0.8283 Intermediate Similarity NPC115899
0.8283 Intermediate Similarity NPC302537
0.8283 Intermediate Similarity NPC472643
0.8283 Intermediate Similarity NPC163372
0.828 Intermediate Similarity NPC104560
0.8265 Intermediate Similarity NPC316598
0.8261 Intermediate Similarity NPC82979
0.8261 Intermediate Similarity NPC6979
0.8261 Intermediate Similarity NPC198761
0.8247 Intermediate Similarity NPC328371
0.8247 Intermediate Similarity NPC116457
0.8235 Intermediate Similarity NPC230541
0.8229 Intermediate Similarity NPC477439
0.8229 Intermediate Similarity NPC196227
0.8211 Intermediate Similarity NPC77099
0.8211 Intermediate Similarity NPC26888
0.8211 Intermediate Similarity NPC470590
0.8211 Intermediate Similarity NPC60755
0.8211 Intermediate Similarity NPC472975
0.8211 Intermediate Similarity NPC285184
0.82 Intermediate Similarity NPC162973
0.8191 Intermediate Similarity NPC36668
0.8191 Intermediate Similarity NPC118011
0.8191 Intermediate Similarity NPC472983
0.8182 Intermediate Similarity NPC472972
0.8182 Intermediate Similarity NPC477521
0.8172 Intermediate Similarity NPC477926
0.8163 Intermediate Similarity NPC472851
0.8163 Intermediate Similarity NPC474977
0.8163 Intermediate Similarity NPC253826
0.8155 Intermediate Similarity NPC472217
0.8155 Intermediate Similarity NPC472219
0.8155 Intermediate Similarity NPC472218
0.8144 Intermediate Similarity NPC317586
0.8144 Intermediate Similarity NPC473240
0.8144 Intermediate Similarity NPC290481
0.8144 Intermediate Similarity NPC173875
0.8144 Intermediate Similarity NPC470016
0.8144 Intermediate Similarity NPC318282
0.8144 Intermediate Similarity NPC139570
0.8144 Intermediate Similarity NPC316215
0.8144 Intermediate Similarity NPC469995
0.8144 Intermediate Similarity NPC174948
0.8137 Intermediate Similarity NPC278628
0.8137 Intermediate Similarity NPC231530
0.8137 Intermediate Similarity NPC127609
0.8137 Intermediate Similarity NPC323834
0.8132 Intermediate Similarity NPC470948
0.8125 Intermediate Similarity NPC118519
0.8125 Intermediate Similarity NPC158059
0.8125 Intermediate Similarity NPC86368
0.8125 Intermediate Similarity NPC147272
0.8125 Intermediate Similarity NPC202728
0.8119 Intermediate Similarity NPC478057
0.8119 Intermediate Similarity NPC236390
0.8119 Intermediate Similarity NPC95899
0.8119 Intermediate Similarity NPC194323
0.8105 Intermediate Similarity NPC175628
0.8105 Intermediate Similarity NPC471896
0.8105 Intermediate Similarity NPC474728
0.8105 Intermediate Similarity NPC111585
0.8105 Intermediate Similarity NPC214844
0.8105 Intermediate Similarity NPC48732
0.8105 Intermediate Similarity NPC120840
0.8105 Intermediate Similarity NPC469400
0.8105 Intermediate Similarity NPC148414
0.8105 Intermediate Similarity NPC113989
0.81 Intermediate Similarity NPC233012
0.81 Intermediate Similarity NPC97435
0.81 Intermediate Similarity NPC54909
0.81 Intermediate Similarity NPC471412
0.809 Intermediate Similarity NPC327674
0.8081 Intermediate Similarity NPC471717
0.8081 Intermediate Similarity NPC174663
0.8077 Intermediate Similarity NPC141350
0.8068 Intermediate Similarity NPC283619
0.8065 Intermediate Similarity NPC470955
0.8065 Intermediate Similarity NPC220478
0.8065 Intermediate Similarity NPC476104
0.8065 Intermediate Similarity NPC472974
0.8061 Intermediate Similarity NPC235053
0.8061 Intermediate Similarity NPC249954
0.8061 Intermediate Similarity NPC157113
0.8061 Intermediate Similarity NPC62516
0.8061 Intermediate Similarity NPC476318
0.8061 Intermediate Similarity NPC476327
0.8061 Intermediate Similarity NPC202833
0.8058 Intermediate Similarity NPC473284
0.8058 Intermediate Similarity NPC475294
0.8058 Intermediate Similarity NPC475176
0.8043 Intermediate Similarity NPC295799
0.8043 Intermediate Similarity NPC102048
0.8041 Intermediate Similarity NPC191412
0.8041 Intermediate Similarity NPC91010
0.8041 Intermediate Similarity NPC474529
0.8041 Intermediate Similarity NPC159410
0.8041 Intermediate Similarity NPC114159
0.8041 Intermediate Similarity NPC74751
0.8041 Intermediate Similarity NPC6818
0.8041 Intermediate Similarity NPC293086
0.8041 Intermediate Similarity NPC184870
0.8041 Intermediate Similarity NPC469406
0.8041 Intermediate Similarity NPC476415
0.8041 Intermediate Similarity NPC166906
0.8041 Intermediate Similarity NPC250075
0.8039 Intermediate Similarity NPC239162
0.8039 Intermediate Similarity NPC470104
0.8022 Intermediate Similarity NPC256112
0.8021 Intermediate Similarity NPC187722
0.8021 Intermediate Similarity NPC475972
0.8021 Intermediate Similarity NPC297265
0.8021 Intermediate Similarity NPC105189
0.8021 Intermediate Similarity NPC233345
0.8021 Intermediate Similarity NPC38754
0.8021 Intermediate Similarity NPC116726
0.8021 Intermediate Similarity NPC186363
0.802 Intermediate Similarity NPC476081
0.802 Intermediate Similarity NPC56498
0.802 Intermediate Similarity NPC470840
0.802 Intermediate Similarity NPC137430
0.802 Intermediate Similarity NPC474709
0.802 Intermediate Similarity NPC478156
0.802 Intermediate Similarity NPC204450
0.802 Intermediate Similarity NPC32577
0.802 Intermediate Similarity NPC195290
0.802 Intermediate Similarity NPC155332
0.802 Intermediate Similarity NPC114540
0.8019 Intermediate Similarity NPC472002
0.8 Intermediate Similarity NPC306856
0.8 Intermediate Similarity NPC48692
0.8 Intermediate Similarity NPC198664
0.8 Intermediate Similarity NPC471413
0.8 Intermediate Similarity NPC471342
0.8 Intermediate Similarity NPC474889
0.8 Intermediate Similarity NPC274330
0.8 Intermediate Similarity NPC290972
0.8 Intermediate Similarity NPC143232
0.8 Intermediate Similarity NPC64872
0.8 Intermediate Similarity NPC83005
0.8 Intermediate Similarity NPC470588
0.8 Intermediate Similarity NPC241221
0.8 Intermediate Similarity NPC157895
0.8 Intermediate Similarity NPC104120
0.8 Intermediate Similarity NPC148685
0.8 Intermediate Similarity NPC469866

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC134067 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
0.8041 Intermediate Similarity NPD7748 Approved
0.798 Intermediate Similarity NPD7902 Approved
0.7961 Intermediate Similarity NPD6402 Approved
0.7961 Intermediate Similarity NPD7128 Approved
0.7961 Intermediate Similarity NPD5739 Approved
0.7961 Intermediate Similarity NPD6675 Approved
0.7938 Intermediate Similarity NPD5778 Approved
0.7938 Intermediate Similarity NPD5779 Approved
0.7938 Intermediate Similarity NPD6399 Phase 3
0.7835 Intermediate Similarity NPD7515 Phase 2
0.7835 Intermediate Similarity NPD6411 Approved
0.781 Intermediate Similarity NPD6881 Approved
0.781 Intermediate Similarity NPD6899 Approved
0.781 Intermediate Similarity NPD7320 Approved
0.7757 Intermediate Similarity NPD8130 Phase 1
0.7736 Intermediate Similarity NPD6372 Approved
0.7736 Intermediate Similarity NPD6373 Approved
0.7714 Intermediate Similarity NPD5701 Approved
0.7714 Intermediate Similarity NPD5697 Approved
0.7685 Intermediate Similarity NPD8297 Approved
0.7677 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7677 Intermediate Similarity NPD7900 Approved
0.7664 Intermediate Similarity NPD7102 Approved
0.7664 Intermediate Similarity NPD7290 Approved
0.7664 Intermediate Similarity NPD6883 Approved
0.7642 Intermediate Similarity NPD6011 Approved
0.7629 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD5328 Approved
0.7629 Intermediate Similarity NPD6101 Approved
0.7593 Intermediate Similarity NPD6649 Approved
0.7593 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD6847 Approved
0.7593 Intermediate Similarity NPD6650 Approved
0.7593 Intermediate Similarity NPD6617 Approved
0.7593 Intermediate Similarity NPD6869 Approved
0.757 Intermediate Similarity NPD6013 Approved
0.757 Intermediate Similarity NPD6014 Approved
0.757 Intermediate Similarity NPD6012 Approved
0.7523 Intermediate Similarity NPD6882 Approved
0.75 Intermediate Similarity NPD5211 Phase 2
0.7476 Intermediate Similarity NPD7640 Approved
0.7476 Intermediate Similarity NPD7639 Approved
0.7475 Intermediate Similarity NPD6079 Approved
0.7474 Intermediate Similarity NPD4786 Approved
0.7451 Intermediate Similarity NPD4755 Approved
0.7447 Intermediate Similarity NPD3667 Approved
0.7423 Intermediate Similarity NPD3573 Approved
0.7411 Intermediate Similarity NPD7115 Discovery
0.7379 Intermediate Similarity NPD4225 Approved
0.7379 Intermediate Similarity NPD7638 Approved
0.7358 Intermediate Similarity NPD5141 Approved
0.732 Intermediate Similarity NPD3618 Phase 1
0.7308 Intermediate Similarity NPD4700 Approved
0.7308 Intermediate Similarity NPD4696 Approved
0.7308 Intermediate Similarity NPD5285 Approved
0.7308 Intermediate Similarity NPD5286 Approved
0.73 Intermediate Similarity NPD8035 Phase 2
0.73 Intermediate Similarity NPD8034 Phase 2
0.729 Intermediate Similarity NPD6008 Approved
0.7282 Intermediate Similarity NPD6083 Phase 2
0.7282 Intermediate Similarity NPD6084 Phase 2
0.7238 Intermediate Similarity NPD5223 Approved
0.7228 Intermediate Similarity NPD4202 Approved
0.7204 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6335 Approved
0.7184 Intermediate Similarity NPD4697 Phase 3
0.7184 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD5221 Approved
0.7184 Intermediate Similarity NPD5222 Approved
0.717 Intermediate Similarity NPD5225 Approved
0.717 Intermediate Similarity NPD5226 Approved
0.717 Intermediate Similarity NPD4633 Approved
0.717 Intermediate Similarity NPD5224 Approved
0.7168 Intermediate Similarity NPD6274 Approved
0.7156 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5786 Approved
0.7143 Intermediate Similarity NPD7334 Approved
0.7143 Intermediate Similarity NPD6684 Approved
0.7143 Intermediate Similarity NPD7146 Approved
0.7143 Intermediate Similarity NPD7521 Approved
0.7143 Intermediate Similarity NPD6409 Approved
0.7143 Intermediate Similarity NPD5330 Approved
0.7143 Intermediate Similarity NPD4632 Approved
0.713 Intermediate Similarity NPD7101 Approved
0.713 Intermediate Similarity NPD7100 Approved
0.7129 Intermediate Similarity NPD7983 Approved
0.7115 Intermediate Similarity NPD5173 Approved
0.7105 Intermediate Similarity NPD6317 Approved
0.7103 Intermediate Similarity NPD5174 Approved
0.7103 Intermediate Similarity NPD5175 Approved
0.7103 Intermediate Similarity NPD4754 Approved
0.7091 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD5695 Phase 3
0.7083 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6435 Approved
0.7065 Intermediate Similarity NPD8264 Approved
0.7043 Intermediate Similarity NPD6313 Approved
0.7043 Intermediate Similarity NPD6314 Approved
0.7041 Intermediate Similarity NPD1694 Approved
0.7041 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD6868 Approved
0.701 Intermediate Similarity NPD7154 Phase 3
0.701 Intermediate Similarity NPD5362 Discontinued
0.7009 Intermediate Similarity NPD6908 Approved
0.7009 Intermediate Similarity NPD6909 Approved
0.7 Intermediate Similarity NPD6903 Approved
0.7 Intermediate Similarity NPD5737 Approved
0.7 Intermediate Similarity NPD6672 Approved
0.7 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.6972 Remote Similarity NPD4768 Approved
0.6972 Remote Similarity NPD4767 Approved
0.6961 Remote Similarity NPD7637 Suspended
0.6957 Remote Similarity NPD6009 Approved
0.6939 Remote Similarity NPD3668 Phase 3
0.6939 Remote Similarity NPD3133 Approved
0.6939 Remote Similarity NPD3666 Approved
0.6939 Remote Similarity NPD3665 Phase 1
0.6937 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6319 Approved
0.6923 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6916 Remote Similarity NPD5344 Discontinued
0.6907 Remote Similarity NPD4269 Approved
0.6907 Remote Similarity NPD4270 Approved
0.6903 Remote Similarity NPD6053 Discontinued
0.6891 Remote Similarity NPD7604 Phase 2
0.6891 Remote Similarity NPD8328 Phase 3
0.6887 Remote Similarity NPD5696 Approved
0.6882 Remote Similarity NPD8039 Approved
0.6875 Remote Similarity NPD4819 Approved
0.6875 Remote Similarity NPD5368 Approved
0.6875 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4821 Approved
0.6875 Remote Similarity NPD4695 Discontinued
0.6875 Remote Similarity NPD4822 Approved
0.6875 Remote Similarity NPD7525 Registered
0.6875 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4820 Approved
0.6864 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6864 Remote Similarity NPD5983 Phase 2
0.6863 Remote Similarity NPD5785 Approved
0.686 Remote Similarity NPD8293 Discontinued
0.6857 Remote Similarity NPD7839 Suspended
0.6852 Remote Similarity NPD7632 Discontinued
0.6847 Remote Similarity NPD4729 Approved
0.6847 Remote Similarity NPD6686 Approved
0.6847 Remote Similarity NPD4730 Approved
0.6847 Remote Similarity NPD5128 Approved
0.6833 Remote Similarity NPD7492 Approved
0.681 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5369 Approved
0.6803 Remote Similarity NPD7736 Approved
0.68 Remote Similarity NPD6422 Discontinued
0.68 Remote Similarity NPD4519 Discontinued
0.68 Remote Similarity NPD5279 Phase 3
0.68 Remote Similarity NPD6098 Approved
0.68 Remote Similarity NPD4623 Approved
0.6796 Remote Similarity NPD5284 Approved
0.6796 Remote Similarity NPD5281 Approved
0.678 Remote Similarity NPD6059 Approved
0.678 Remote Similarity NPD6054 Approved
0.6777 Remote Similarity NPD7507 Approved
0.6777 Remote Similarity NPD6616 Approved
0.6777 Remote Similarity NPD6336 Discontinued
0.6771 Remote Similarity NPD7645 Phase 2
0.6768 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6765 Remote Similarity NPD6673 Approved
0.6765 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4753 Phase 2
0.6765 Remote Similarity NPD6080 Approved
0.6765 Remote Similarity NPD6904 Approved
0.6726 Remote Similarity NPD5249 Phase 3
0.6726 Remote Similarity NPD5251 Approved
0.6726 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6726 Remote Similarity NPD5247 Approved
0.6726 Remote Similarity NPD5135 Approved
0.6726 Remote Similarity NPD4634 Approved
0.6726 Remote Similarity NPD5250 Approved
0.6726 Remote Similarity NPD5169 Approved
0.6726 Remote Similarity NPD5248 Approved
0.6723 Remote Similarity NPD8517 Approved
0.6723 Remote Similarity NPD8515 Approved
0.6723 Remote Similarity NPD8516 Approved
0.6723 Remote Similarity NPD8513 Phase 3
0.6721 Remote Similarity NPD7078 Approved
0.6701 Remote Similarity NPD4252 Approved
0.67 Remote Similarity NPD5363 Approved
0.67 Remote Similarity NPD1696 Phase 3
0.6699 Remote Similarity NPD6698 Approved
0.6699 Remote Similarity NPD46 Approved
0.6667 Remote Similarity NPD6648 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD5217 Approved
0.6667 Remote Similarity NPD4271 Approved
0.6667 Remote Similarity NPD6370 Approved
0.6667 Remote Similarity NPD4268 Approved
0.6667 Remote Similarity NPD6695 Phase 3

Structure

External Identifiers

PubChem CID   56649340
ChEMBL   CHEMBL1927958
ZINC  

Physicochemical Properties

Molecular Weight:  532.38
ALogP:  3.5149
MLogP:  4.32
XLogP:  3.975
# Rotatable Bonds:  23
Polar Surface Area:  104.06
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  2
# 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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