Natural Product: NPC115862

Natural Product ID:  NPC115862
Common Name:   Pouogenin E
IUPAC Name:   [(1S,2S,4S)-4-hydroxy-2-[(3E,6R,7E)-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]-3,8-dimethyl-9-oxodeca-3,7-dienyl]-1,3,3-trimethylcyclohexyl] acetate
Synonyms:   Pouogenin E
Molecular Formula:   C32H50O7
Standard InCHIKey:  OAMZYQFNMGCDQI-GJBZLVSMSA-N
Standard InCHI:  InChI=1S/C32H50O7/c1-20(11-13-25-29(4,5)28(37)15-17-32(25,9)39-22(3)33)10-12-23(34)18-21(2)24(35)19-26-30(6,7)27(36)14-16-31(26,8)38/h10,14,16,18,23,25-26,28,34,37-38H,11-13,15,17,19H2,1-9H3/b20-10+,21-18+/t23-,25+,26+,28+,31+,32+/m1/s1
Canonical SMILES:  C/C(=CC[C@H](/C=C(/C(=O)C[C@@H]1[C@@](C)(O)C=CC(=O)C1(C)C)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 = 18900 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 NPC115862 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
0.9286 High Similarity NPC118911
0.9053 High Similarity NPC134067
0.8866 High Similarity NPC254496
0.8776 High Similarity NPC478056
0.8673 High Similarity NPC285513
0.8611 High Similarity NPC234522
0.86 High Similarity NPC476240
0.86 High Similarity NPC224720
0.86 High Similarity NPC476223
0.8586 High Similarity NPC316598
0.8515 High Similarity NPC136289
0.85 High Similarity NPC266955
0.85 High Similarity NPC476274
0.8485 Intermediate Similarity NPC170131
0.8454 Intermediate Similarity NPC476416
0.8431 Intermediate Similarity NPC478057
0.8421 Intermediate Similarity NPC104560
0.8416 Intermediate Similarity NPC115899
0.8416 Intermediate Similarity NPC81530
0.8404 Intermediate Similarity NPC473226
0.8351 Intermediate Similarity NPC252433
0.8333 Intermediate Similarity NPC293753
0.8333 Intermediate Similarity NPC118011
0.8333 Intermediate Similarity NPC472983
0.8333 Intermediate Similarity NPC36668
0.83 Intermediate Similarity NPC253826
0.83 Intermediate Similarity NPC474343
0.8286 Intermediate Similarity NPC102843
0.8283 Intermediate Similarity NPC53565
0.8283 Intermediate Similarity NPC183012
0.8252 Intermediate Similarity NPC95899
0.8252 Intermediate Similarity NPC72151
0.8247 Intermediate Similarity NPC232202
0.8247 Intermediate Similarity NPC134321
0.8235 Intermediate Similarity NPC97435
0.8229 Intermediate Similarity NPC48107
0.8229 Intermediate Similarity NPC473229
0.8211 Intermediate Similarity NPC472974
0.8208 Intermediate Similarity NPC228477
0.8208 Intermediate Similarity NPC137911
0.82 Intermediate Similarity NPC472941
0.82 Intermediate Similarity NPC327179
0.82 Intermediate Similarity NPC202833
0.82 Intermediate Similarity NPC456
0.82 Intermediate Similarity NPC301534
0.82 Intermediate Similarity NPC250757
0.819 Intermediate Similarity NPC473284
0.8182 Intermediate Similarity NPC472976
0.8182 Intermediate Similarity NPC472977
0.8182 Intermediate Similarity NPC476415
0.8163 Intermediate Similarity NPC233345
0.8163 Intermediate Similarity NPC472978
0.8163 Intermediate Similarity NPC186363
0.8155 Intermediate Similarity NPC32577
0.8155 Intermediate Similarity NPC476126
0.8155 Intermediate Similarity NPC320447
0.8155 Intermediate Similarity NPC114540
0.8155 Intermediate Similarity NPC137430
0.8155 Intermediate Similarity NPC234892
0.8155 Intermediate Similarity NPC476081
0.8155 Intermediate Similarity NPC476235
0.8155 Intermediate Similarity NPC155332
0.8155 Intermediate Similarity NPC281702
0.8148 Intermediate Similarity NPC264634
0.8148 Intermediate Similarity NPC147180
0.8144 Intermediate Similarity NPC472973
0.8137 Intermediate Similarity NPC307954
0.8137 Intermediate Similarity NPC287833
0.8125 Intermediate Similarity NPC476409
0.8125 Intermediate Similarity NPC48692
0.8113 Intermediate Similarity NPC295244
0.8105 Intermediate Similarity NPC52628
0.81 Intermediate Similarity NPC290481
0.8095 Intermediate Similarity NPC85529
0.8095 Intermediate Similarity NPC32006
0.8095 Intermediate Similarity NPC472645
0.8091 Intermediate Similarity NPC64318
0.8081 Intermediate Similarity NPC477435
0.8081 Intermediate Similarity NPC477436
0.8081 Intermediate Similarity NPC139692
0.8077 Intermediate Similarity NPC8196
0.8077 Intermediate Similarity NPC99266
0.8077 Intermediate Similarity NPC90177
0.8073 Intermediate Similarity NPC472929
0.8073 Intermediate Similarity NPC474271
0.8073 Intermediate Similarity NPC122056
0.8073 Intermediate Similarity NPC25909
0.8061 Intermediate Similarity NPC476437
0.8061 Intermediate Similarity NPC476369
0.8061 Intermediate Similarity NPC128672
0.8058 Intermediate Similarity NPC282524
0.8058 Intermediate Similarity NPC476246
0.8058 Intermediate Similarity NPC476213
0.8058 Intermediate Similarity NPC303559
0.8058 Intermediate Similarity NPC477870
0.8058 Intermediate Similarity NPC477871
0.8039 Intermediate Similarity NPC57079
0.8039 Intermediate Similarity NPC108368
0.8039 Intermediate Similarity NPC471966
0.8037 Intermediate Similarity NPC220705
0.8036 Intermediate Similarity NPC472933
0.8036 Intermediate Similarity NPC268958
0.8021 Intermediate Similarity NPC6979
0.8021 Intermediate Similarity NPC202394
0.8021 Intermediate Similarity NPC82979
0.8021 Intermediate Similarity NPC325594
0.8021 Intermediate Similarity NPC73038
0.8021 Intermediate Similarity NPC322159
0.802 Intermediate Similarity NPC242848
0.802 Intermediate Similarity NPC134072
0.802 Intermediate Similarity NPC234993
0.802 Intermediate Similarity NPC116457
0.8019 Intermediate Similarity NPC475294
0.8019 Intermediate Similarity NPC187435
0.8019 Intermediate Similarity NPC143609
0.8019 Intermediate Similarity NPC67321
0.8018 Intermediate Similarity NPC472934
0.8018 Intermediate Similarity NPC471854
0.8018 Intermediate Similarity NPC472927
0.8 Intermediate Similarity NPC38830
0.8 Intermediate Similarity NPC470697
0.8 Intermediate Similarity NPC40687
0.8 Intermediate Similarity NPC299100
0.8 Intermediate Similarity NPC196227
0.8 Intermediate Similarity NPC147912
0.8 Intermediate Similarity NPC477129
0.8 Intermediate Similarity NPC74751
0.8 Intermediate Similarity NPC67259
0.8 Intermediate Similarity NPC477130
0.8 Intermediate Similarity NPC57117
0.7981 Intermediate Similarity NPC119601
0.7981 Intermediate Similarity NPC308726
0.7981 Intermediate Similarity NPC162973
0.798 Intermediate Similarity NPC72845
0.798 Intermediate Similarity NPC472975
0.798 Intermediate Similarity NPC116726
0.7979 Intermediate Similarity NPC256112
0.7963 Intermediate Similarity NPC286880
0.7963 Intermediate Similarity NPC272898
0.7963 Intermediate Similarity NPC473036
0.7961 Intermediate Similarity NPC472644
0.7961 Intermediate Similarity NPC198880
0.7961 Intermediate Similarity NPC144660
0.7961 Intermediate Similarity NPC51370
0.7961 Intermediate Similarity NPC476299
0.7961 Intermediate Similarity NPC241221
0.7961 Intermediate Similarity NPC299971
0.7961 Intermediate Similarity NPC474012
0.7961 Intermediate Similarity NPC470074
0.7961 Intermediate Similarity NPC46761
0.7959 Intermediate Similarity NPC474396
0.7959 Intermediate Similarity NPC73995
0.7959 Intermediate Similarity NPC5509
0.7959 Intermediate Similarity NPC50488
0.7959 Intermediate Similarity NPC314727
0.7946 Intermediate Similarity NPC186525
0.7946 Intermediate Similarity NPC50774
0.7946 Intermediate Similarity NPC709
0.7944 Intermediate Similarity NPC275539
0.7944 Intermediate Similarity NPC472218
0.7944 Intermediate Similarity NPC151393
0.7944 Intermediate Similarity NPC189075
0.7944 Intermediate Similarity NPC476802
0.7944 Intermediate Similarity NPC322903
0.7944 Intermediate Similarity NPC472219
0.7944 Intermediate Similarity NPC472217
0.7944 Intermediate Similarity NPC89171
0.7941 Intermediate Similarity NPC224356
0.7941 Intermediate Similarity NPC132753
0.7941 Intermediate Similarity NPC84335
0.7941 Intermediate Similarity NPC320306
0.7941 Intermediate Similarity NPC175351
0.7941 Intermediate Similarity NPC108078
0.7941 Intermediate Similarity NPC107243
0.7941 Intermediate Similarity NPC38530
0.7941 Intermediate Similarity NPC151681
0.7941 Intermediate Similarity NPC226986
0.7941 Intermediate Similarity NPC121402
0.7941 Intermediate Similarity NPC473456
0.7941 Intermediate Similarity NPC121339
0.7941 Intermediate Similarity NPC122294
0.7941 Intermediate Similarity NPC141401
0.7938 Intermediate Similarity NPC181327
0.7938 Intermediate Similarity NPC477926
0.7925 Intermediate Similarity NPC111952
0.7925 Intermediate Similarity NPC477125
0.7925 Intermediate Similarity NPC1679
0.7925 Intermediate Similarity NPC128828
0.7921 Intermediate Similarity NPC266899
0.7921 Intermediate Similarity NPC477437
0.7921 Intermediate Similarity NPC180950
0.7921 Intermediate Similarity NPC477438
0.7921 Intermediate Similarity NPC476245
0.7921 Intermediate Similarity NPC316215
0.7917 Intermediate Similarity NPC109528
0.7917 Intermediate Similarity NPC28887
0.7909 Intermediate Similarity NPC472757
0.7905 Intermediate Similarity NPC475050
0.7905 Intermediate Similarity NPC275583
0.7905 Intermediate Similarity NPC475526

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC115862 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
0.8119 Intermediate Similarity NPD7902 Approved
0.8 Intermediate Similarity NPD7748 Approved
0.7857 Intermediate Similarity NPD7115 Discovery
0.7822 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7822 Intermediate Similarity NPD7900 Approved
0.78 Intermediate Similarity NPD7515 Phase 2
0.7778 Intermediate Similarity NPD6881 Approved
0.7778 Intermediate Similarity NPD6899 Approved
0.7727 Intermediate Similarity NPD8130 Phase 1
0.7727 Intermediate Similarity NPD6649 Approved
0.7727 Intermediate Similarity NPD6650 Approved
0.7723 Intermediate Similarity NPD6399 Phase 3
0.7692 Intermediate Similarity NPD4225 Approved
0.7685 Intermediate Similarity NPD5697 Approved
0.7658 Intermediate Similarity NPD8297 Approved
0.7636 Intermediate Similarity NPD7102 Approved
0.7636 Intermediate Similarity NPD6883 Approved
0.7636 Intermediate Similarity NPD7290 Approved
0.7615 Intermediate Similarity NPD6011 Approved
0.7593 Intermediate Similarity NPD5739 Approved
0.7593 Intermediate Similarity NPD6675 Approved
0.7593 Intermediate Similarity NPD7128 Approved
0.7593 Intermediate Similarity NPD6402 Approved
0.7568 Intermediate Similarity NPD6869 Approved
0.7568 Intermediate Similarity NPD6847 Approved
0.7568 Intermediate Similarity NPD6617 Approved
0.7551 Intermediate Similarity NPD1694 Approved
0.7545 Intermediate Similarity NPD6012 Approved
0.7545 Intermediate Similarity NPD6014 Approved
0.7545 Intermediate Similarity NPD6372 Approved
0.7545 Intermediate Similarity NPD6373 Approved
0.7545 Intermediate Similarity NPD6013 Approved
0.75 Intermediate Similarity NPD6882 Approved
0.7477 Intermediate Similarity NPD5211 Phase 2
0.7475 Intermediate Similarity NPD3618 Phase 1
0.7455 Intermediate Similarity NPD7320 Approved
0.7453 Intermediate Similarity NPD7639 Approved
0.7453 Intermediate Similarity NPD7640 Approved
0.7451 Intermediate Similarity NPD6079 Approved
0.74 Intermediate Similarity NPD3573 Approved
0.7379 Intermediate Similarity NPD5779 Approved
0.7379 Intermediate Similarity NPD5778 Approved
0.7364 Intermediate Similarity NPD5701 Approved
0.7358 Intermediate Similarity NPD7638 Approved
0.7358 Intermediate Similarity NPD5696 Approved
0.7353 Intermediate Similarity NPD5785 Approved
0.7339 Intermediate Similarity NPD5141 Approved
0.729 Intermediate Similarity NPD5286 Approved
0.729 Intermediate Similarity NPD4696 Approved
0.729 Intermediate Similarity NPD5285 Approved
0.7282 Intermediate Similarity NPD6411 Approved
0.7264 Intermediate Similarity NPD6083 Phase 2
0.7264 Intermediate Similarity NPD6084 Phase 2
0.7257 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD5328 Approved
0.7245 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD4629 Approved
0.7238 Intermediate Similarity NPD5210 Approved
0.7222 Intermediate Similarity NPD5223 Approved
0.7222 Intermediate Similarity NPD5344 Discontinued
0.7212 Intermediate Similarity NPD4202 Approved
0.72 Intermediate Similarity NPD5363 Approved
0.7179 Intermediate Similarity NPD6335 Approved
0.717 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5222 Approved
0.717 Intermediate Similarity NPD5221 Approved
0.7156 Intermediate Similarity NPD5225 Approved
0.7156 Intermediate Similarity NPD5224 Approved
0.7156 Intermediate Similarity NPD4633 Approved
0.7156 Intermediate Similarity NPD5226 Approved
0.713 Intermediate Similarity NPD4632 Approved
0.7129 Intermediate Similarity NPD7521 Approved
0.7129 Intermediate Similarity NPD7334 Approved
0.7129 Intermediate Similarity NPD6684 Approved
0.7129 Intermediate Similarity NPD7146 Approved
0.7129 Intermediate Similarity NPD6409 Approved
0.7129 Intermediate Similarity NPD5330 Approved
0.7119 Intermediate Similarity NPD7100 Approved
0.7119 Intermediate Similarity NPD7101 Approved
0.7117 Intermediate Similarity NPD6008 Approved
0.7115 Intermediate Similarity NPD8035 Phase 2
0.7115 Intermediate Similarity NPD8034 Phase 2
0.7115 Intermediate Similarity NPD5284 Approved
0.7115 Intermediate Similarity NPD5281 Approved
0.7103 Intermediate Similarity NPD4755 Approved
0.7103 Intermediate Similarity NPD5173 Approved
0.71 Intermediate Similarity NPD4786 Approved
0.7094 Intermediate Similarity NPD6317 Approved
0.7091 Intermediate Similarity NPD5174 Approved
0.7091 Intermediate Similarity NPD5175 Approved
0.7087 Intermediate Similarity NPD6101 Approved
0.7087 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD5695 Phase 3
0.7075 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD3667 Approved
0.7041 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD4695 Discontinued
0.7034 Intermediate Similarity NPD6313 Approved
0.7034 Intermediate Similarity NPD6314 Approved
0.7018 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6868 Approved
0.7009 Intermediate Similarity NPD4697 Phase 3
0.7009 Intermediate Similarity NPD6274 Approved
0.7 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.6991 Remote Similarity NPD6686 Approved
0.699 Remote Similarity NPD6672 Approved
0.699 Remote Similarity NPD5737 Approved
0.699 Remote Similarity NPD6903 Approved
0.699 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6972 Remote Similarity NPD4700 Approved
0.6972 Remote Similarity NPD6648 Approved
0.6961 Remote Similarity NPD4623 Approved
0.6961 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4519 Discontinued
0.6949 Remote Similarity NPD6009 Approved
0.6931 Remote Similarity NPD3133 Approved
0.6931 Remote Similarity NPD3666 Approved
0.6931 Remote Similarity NPD3665 Phase 1
0.6917 Remote Similarity NPD6319 Approved
0.69 Remote Similarity NPD4269 Approved
0.69 Remote Similarity NPD4270 Approved
0.6885 Remote Similarity NPD7604 Phase 2
0.6881 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8264 Approved
0.687 Remote Similarity NPD6371 Approved
0.686 Remote Similarity NPD5983 Phase 2
0.6847 Remote Similarity NPD7632 Discontinued
0.6842 Remote Similarity NPD4729 Approved
0.6842 Remote Similarity NPD4730 Approved
0.6842 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5362 Discontinued
0.6832 Remote Similarity NPD7154 Phase 3
0.6829 Remote Similarity NPD7492 Approved
0.68 Remote Similarity NPD5369 Approved
0.68 Remote Similarity NPD7736 Approved
0.6796 Remote Similarity NPD5279 Phase 3
0.6796 Remote Similarity NPD5786 Approved
0.6792 Remote Similarity NPD7637 Suspended
0.6786 Remote Similarity NPD4754 Approved
0.6783 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6777 Remote Similarity NPD6054 Approved
0.6774 Remote Similarity NPD6616 Approved
0.6774 Remote Similarity NPD6336 Discontinued
0.6762 Remote Similarity NPD6080 Approved
0.6762 Remote Similarity NPD6673 Approved
0.6762 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6762 Remote Similarity NPD4753 Phase 2
0.6762 Remote Similarity NPD6904 Approved
0.6754 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6748 Remote Similarity NPD8328 Phase 3
0.6724 Remote Similarity NPD5249 Phase 3
0.6724 Remote Similarity NPD5251 Approved
0.6724 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6724 Remote Similarity NPD5247 Approved
0.6724 Remote Similarity NPD5135 Approved
0.6724 Remote Similarity NPD5250 Approved
0.6724 Remote Similarity NPD5169 Approved
0.6724 Remote Similarity NPD5248 Approved
0.6724 Remote Similarity NPD4634 Approved
0.6721 Remote Similarity NPD6909 Approved
0.6721 Remote Similarity NPD6908 Approved
0.672 Remote Similarity NPD7078 Approved
0.6701 Remote Similarity NPD8039 Approved
0.67 Remote Similarity NPD4819 Approved
0.67 Remote Similarity NPD5790 Clinical (unspecified phase)
0.67 Remote Similarity NPD4820 Approved
0.67 Remote Similarity NPD4252 Approved
0.67 Remote Similarity NPD4821 Approved
0.67 Remote Similarity NPD4822 Approved
0.6699 Remote Similarity NPD1696 Phase 3
0.6699 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6698 Remote Similarity NPD46 Approved
0.6698 Remote Similarity NPD6698 Approved
0.6698 Remote Similarity NPD5207 Approved
0.6697 Remote Similarity NPD7732 Phase 3
0.6697 Remote Similarity NPD7614 Phase 1
0.6696 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD5282 Discontinued
0.6667 Remote Similarity NPD6001 Approved
0.6667 Remote Similarity NPD5217 Approved
0.6667 Remote Similarity NPD4767 Approved
0.6667 Remote Similarity NPD6370 Approved
0.6641 Remote Similarity NPD7260 Phase 2
0.6636 Remote Similarity NPD5693 Phase 1
0.6636 Remote Similarity NPD5694 Approved
0.6636 Remote Similarity NPD7983 Approved
0.6636 Remote Similarity NPD6050 Approved
0.6635 Remote Similarity NPD5690 Phase 2
0.661 Remote Similarity NPD6053 Discontinued
0.6609 Remote Similarity NPD6412 Phase 2
0.6609 Remote Similarity NPD6614 Approved
0.6602 Remote Similarity NPD3668 Phase 3
0.6602 Remote Similarity NPD6400 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   56649342
ChEMBL   CHEMBL1927964
ZINC  

Physicochemical Properties

Molecular Weight:  546.36
ALogP:  2.744
MLogP:  4.21
XLogP:  3.322
# Rotatable Bonds:  23
Polar Surface Area:  121.13
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  39

Download Data

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