Natural Product: NPC472508

Natural Product ID:  NPC472508
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H38O12
Standard InCHIKey:  VHEIRYSOAGPSSD-TWMDVTLASA-N
Standard InCHI:  InChI=1S/C27H38O12/c1-13-7-17(28)18(8-14-5-6-15(9-16(13)14)26(2,3)35)38-25-24(34)23(33)22(32)19(39-25)12-37-21(31)11-27(4,36)10-20(29)30/h7-8,15,19,22-25,32-36H,5-6,9-12H2,1-4H3,(H,29,30)/t15-,19-,22-,23+,24-,25-,27?/m1/s1
Canonical SMILES:  O=C(CC(CC(=O)O)(O)C)OC[C@H]1O[C@@H](Oc2cc3CC[C@H](Cc3c(cc2=O)C)C(O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O
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
NPO32551 liriosma ovata Species NA NA PMID[25587934]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 > 50000 nM 19650652
NPT315 Cell Line CEM-SS Homo sapiens IC50 > 50000 nM 17536856

  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 NPC472508 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
0.9802 High Similarity NPC472507
0.7822 Intermediate Similarity NPC477746
0.7822 Intermediate Similarity NPC477747
0.7788 Intermediate Similarity NPC23497
0.7757 Intermediate Similarity NPC256230
0.775 Intermediate Similarity NPC216866
0.7714 Intermediate Similarity NPC477749
0.7705 Intermediate Similarity NPC198714
0.7692 Intermediate Similarity NPC31797
0.7686 Intermediate Similarity NPC238005
0.7686 Intermediate Similarity NPC141196
0.7686 Intermediate Similarity NPC1980
0.7647 Intermediate Similarity NPC319570
0.7642 Intermediate Similarity NPC61201
0.7619 Intermediate Similarity NPC202886
0.7596 Intermediate Similarity NPC471756
0.7596 Intermediate Similarity NPC471755
0.7583 Intermediate Similarity NPC472076
0.7583 Intermediate Similarity NPC472075
0.7581 Intermediate Similarity NPC475636
0.7581 Intermediate Similarity NPC295220
0.7563 Intermediate Similarity NPC297179
0.7563 Intermediate Similarity NPC13710
0.7547 Intermediate Similarity NPC472199
0.7541 Intermediate Similarity NPC472078
0.7541 Intermediate Similarity NPC472077
0.7524 Intermediate Similarity NPC477748
0.7521 Intermediate Similarity NPC42675
0.7521 Intermediate Similarity NPC275675
0.7521 Intermediate Similarity NPC473228
0.7521 Intermediate Similarity NPC470829
0.752 Intermediate Similarity NPC309096
0.752 Intermediate Similarity NPC54614
0.7519 Intermediate Similarity NPC596
0.75 Intermediate Similarity NPC127530
0.75 Intermediate Similarity NPC108141
0.748 Intermediate Similarity NPC177820
0.748 Intermediate Similarity NPC30188
0.748 Intermediate Similarity NPC7850
0.748 Intermediate Similarity NPC6615
0.7479 Intermediate Similarity NPC309433
0.7478 Intermediate Similarity NPC133625
0.7477 Intermediate Similarity NPC478037
0.7477 Intermediate Similarity NPC478036
0.746 Intermediate Similarity NPC213634
0.7459 Intermediate Similarity NPC471965
0.7455 Intermediate Similarity NPC56071
0.7455 Intermediate Similarity NPC70733
0.7453 Intermediate Similarity NPC473311
0.7453 Intermediate Similarity NPC303451
0.7453 Intermediate Similarity NPC6414
0.7453 Intermediate Similarity NPC117596
0.7442 Intermediate Similarity NPC141215
0.7442 Intermediate Similarity NPC190065
0.7442 Intermediate Similarity NPC471089
0.7436 Intermediate Similarity NPC66108
0.7431 Intermediate Similarity NPC288350
0.7431 Intermediate Similarity NPC173329
0.7419 Intermediate Similarity NPC222307
0.7419 Intermediate Similarity NPC93368
0.7419 Intermediate Similarity NPC87662
0.7417 Intermediate Similarity NPC176005
0.7414 Intermediate Similarity NPC89408
0.7411 Intermediate Similarity NPC476126
0.7411 Intermediate Similarity NPC476235
0.7407 Intermediate Similarity NPC472198
0.7398 Intermediate Similarity NPC262199
0.7398 Intermediate Similarity NPC202666
0.7398 Intermediate Similarity NPC14617
0.7398 Intermediate Similarity NPC471961
0.7398 Intermediate Similarity NPC471964
0.7398 Intermediate Similarity NPC227397
0.7395 Intermediate Similarity NPC134869
0.7395 Intermediate Similarity NPC152199
0.7395 Intermediate Similarity NPC235539
0.7391 Intermediate Similarity NPC327106
0.7391 Intermediate Similarity NPC473288
0.7387 Intermediate Similarity NPC469870
0.7387 Intermediate Similarity NPC469871
0.7387 Intermediate Similarity NPC324667
0.7385 Intermediate Similarity NPC295885
0.7385 Intermediate Similarity NPC140045
0.7377 Intermediate Similarity NPC75417
0.7368 Intermediate Similarity NPC469852
0.7364 Intermediate Similarity NPC278506
0.7364 Intermediate Similarity NPC476612
0.7364 Intermediate Similarity NPC262813
0.7364 Intermediate Similarity NPC476613
0.736 Intermediate Similarity NPC152091
0.7355 Intermediate Similarity NPC279143
0.7355 Intermediate Similarity NPC470777
0.7339 Intermediate Similarity NPC170204
0.7339 Intermediate Similarity NPC190846
0.7339 Intermediate Similarity NPC470922
0.7339 Intermediate Similarity NPC277191
0.7339 Intermediate Similarity NPC469841
0.7339 Intermediate Similarity NPC247315
0.7339 Intermediate Similarity NPC471962
0.7339 Intermediate Similarity NPC469842
0.7339 Intermediate Similarity NPC469543
0.7339 Intermediate Similarity NPC471963
0.7339 Intermediate Similarity NPC101051
0.7333 Intermediate Similarity NPC23046
0.7333 Intermediate Similarity NPC224121
0.7327 Intermediate Similarity NPC100697
0.7321 Intermediate Similarity NPC476246
0.7321 Intermediate Similarity NPC477870
0.7321 Intermediate Similarity NPC476611
0.7321 Intermediate Similarity NPC476213
0.7321 Intermediate Similarity NPC477871
0.7317 Intermediate Similarity NPC275343
0.7317 Intermediate Similarity NPC287236
0.7315 Intermediate Similarity NPC472195
0.7315 Intermediate Similarity NPC238090
0.7315 Intermediate Similarity NPC320552
0.7315 Intermediate Similarity NPC472196
0.7311 Intermediate Similarity NPC474906
0.7311 Intermediate Similarity NPC18547
0.7308 Intermediate Similarity NPC251998
0.7304 Intermediate Similarity NPC469853
0.7304 Intermediate Similarity NPC474285
0.7304 Intermediate Similarity NPC254538
0.7302 Intermediate Similarity NPC270109
0.7297 Intermediate Similarity NPC472015
0.729 Intermediate Similarity NPC327253
0.7281 Intermediate Similarity NPC264584
0.7281 Intermediate Similarity NPC86095
0.728 Intermediate Similarity NPC469947
0.728 Intermediate Similarity NPC285091
0.728 Intermediate Similarity NPC181066
0.7273 Intermediate Similarity NPC188667
0.7273 Intermediate Similarity NPC286347
0.7273 Intermediate Similarity NPC241911
0.7273 Intermediate Similarity NPC234522
0.7273 Intermediate Similarity NPC475309
0.7273 Intermediate Similarity NPC17772
0.7273 Intermediate Similarity NPC204552
0.7266 Intermediate Similarity NPC100390
0.7266 Intermediate Similarity NPC254614
0.7265 Intermediate Similarity NPC127153
0.7257 Intermediate Similarity NPC195510
0.7257 Intermediate Similarity NPC223834
0.7257 Intermediate Similarity NPC222062
0.7257 Intermediate Similarity NPC471599
0.7257 Intermediate Similarity NPC13171
0.7248 Intermediate Similarity NPC96736
0.7248 Intermediate Similarity NPC159698
0.7248 Intermediate Similarity NPC178949
0.7244 Intermediate Similarity NPC470913
0.7244 Intermediate Similarity NPC477077
0.7244 Intermediate Similarity NPC477076
0.7244 Intermediate Similarity NPC477079
0.7241 Intermediate Similarity NPC473807
0.7236 Intermediate Similarity NPC278163
0.7236 Intermediate Similarity NPC187950
0.7232 Intermediate Similarity NPC306344
0.7232 Intermediate Similarity NPC22149
0.7232 Intermediate Similarity NPC255677
0.7227 Intermediate Similarity NPC101965
0.7227 Intermediate Similarity NPC198539
0.7227 Intermediate Similarity NPC7921
0.7227 Intermediate Similarity NPC208998
0.7227 Intermediate Similarity NPC326264
0.7227 Intermediate Similarity NPC101400
0.7222 Intermediate Similarity NPC472125
0.7222 Intermediate Similarity NPC472197
0.7222 Intermediate Similarity NPC472126
0.7222 Intermediate Similarity NPC472124
0.7213 Intermediate Similarity NPC35405
0.7213 Intermediate Similarity NPC178548
0.7213 Intermediate Similarity NPC473884
0.7213 Intermediate Similarity NPC11551
0.7213 Intermediate Similarity NPC472949
0.7213 Intermediate Similarity NPC208381
0.7213 Intermediate Similarity NPC473920
0.7213 Intermediate Similarity NPC475171
0.7213 Intermediate Similarity NPC214484
0.7213 Intermediate Similarity NPC39211
0.7213 Intermediate Similarity NPC469488
0.7213 Intermediate Similarity NPC6377
0.7213 Intermediate Similarity NPC309780
0.7213 Intermediate Similarity NPC180550
0.7213 Intermediate Similarity NPC114441
0.7213 Intermediate Similarity NPC157868
0.7213 Intermediate Similarity NPC258592
0.7213 Intermediate Similarity NPC469945
0.7209 Intermediate Similarity NPC478151
0.7207 Intermediate Similarity NPC474194
0.72 Intermediate Similarity NPC24651
0.72 Intermediate Similarity NPC23275
0.72 Intermediate Similarity NPC475194
0.7193 Intermediate Similarity NPC197541
0.7193 Intermediate Similarity NPC267869
0.7193 Intermediate Similarity NPC469980
0.7193 Intermediate Similarity NPC197736
0.7193 Intermediate Similarity NPC234304
0.7193 Intermediate Similarity NPC118761
0.7193 Intermediate Similarity NPC151516
0.7193 Intermediate Similarity NPC284929
0.7193 Intermediate Similarity NPC104161

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472508 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
0.7398 Intermediate Similarity NPD8328 Phase 3
0.7143 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD8517 Approved
0.7097 Intermediate Similarity NPD8515 Approved
0.7097 Intermediate Similarity NPD8513 Phase 3
0.7097 Intermediate Similarity NPD8516 Approved
0.7094 Intermediate Similarity NPD6686 Approved
0.7049 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD6370 Approved
0.704 Intermediate Similarity NPD8080 Discontinued
0.7031 Intermediate Similarity NPD7736 Approved
0.7009 Intermediate Similarity NPD6412 Phase 2
0.696 Remote Similarity NPD7503 Approved
0.6953 Remote Similarity NPD8293 Discontinued
0.6929 Remote Similarity NPD7492 Approved
0.6909 Remote Similarity NPD7983 Approved
0.688 Remote Similarity NPD6319 Approved
0.688 Remote Similarity NPD6054 Approved
0.6875 Remote Similarity NPD6616 Approved
0.6855 Remote Similarity NPD7641 Discontinued
0.6825 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6822 Remote Similarity NPD7078 Approved
0.6818 Remote Similarity NPD46 Approved
0.6818 Remote Similarity NPD6698 Approved
0.6792 Remote Similarity NPD6110 Phase 1
0.6746 Remote Similarity NPD6059 Approved
0.6723 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6721 Remote Similarity NPD6882 Approved
0.6719 Remote Similarity NPD7829 Approved
0.6719 Remote Similarity NPD7830 Approved
0.6693 Remote Similarity NPD6015 Approved
0.6693 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD7838 Discovery
0.6641 Remote Similarity NPD5988 Approved
0.664 Remote Similarity NPD6009 Approved
0.6637 Remote Similarity NPD5282 Discontinued
0.6618 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6612 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6591 Remote Similarity NPD7319 Approved
0.6585 Remote Similarity NPD8297 Approved
0.6577 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6101 Approved
0.6565 Remote Similarity NPD8074 Phase 3
0.6562 Remote Similarity NPD8444 Approved
0.6557 Remote Similarity NPD6371 Approved
0.6549 Remote Similarity NPD5779 Approved
0.6549 Remote Similarity NPD5778 Approved
0.6522 Remote Similarity NPD7839 Suspended
0.6508 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6504 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6489 Remote Similarity NPD7507 Approved
0.6462 Remote Similarity NPD7642 Approved
0.646 Remote Similarity NPD6411 Approved
0.6452 Remote Similarity NPD6053 Discontinued
0.6412 Remote Similarity NPD8340 Approved
0.6412 Remote Similarity NPD8341 Approved
0.6412 Remote Similarity NPD8342 Approved
0.6412 Remote Similarity NPD8299 Approved
0.64 Remote Similarity NPD4632 Approved
0.6393 Remote Similarity NPD6899 Approved
0.6393 Remote Similarity NPD6881 Approved
0.6391 Remote Similarity NPD8336 Approved
0.6391 Remote Similarity NPD8337 Approved
0.6371 Remote Similarity NPD6650 Approved
0.6371 Remote Similarity NPD6649 Approved
0.637 Remote Similarity NPD7260 Phase 2
0.6364 Remote Similarity NPD6675 Approved
0.6364 Remote Similarity NPD5739 Approved
0.6364 Remote Similarity NPD8451 Approved
0.6364 Remote Similarity NPD7128 Approved
0.6364 Remote Similarity NPD6402 Approved
0.6341 Remote Similarity NPD6372 Approved
0.6341 Remote Similarity NPD6373 Approved
0.6328 Remote Similarity NPD7328 Approved
0.6328 Remote Similarity NPD7327 Approved
0.6325 Remote Similarity NPD6084 Phase 2
0.6325 Remote Similarity NPD6083 Phase 2
0.6316 Remote Similarity NPD8448 Approved
0.6311 Remote Similarity NPD5697 Approved
0.6308 Remote Similarity NPD8033 Approved
0.629 Remote Similarity NPD6883 Approved
0.629 Remote Similarity NPD7102 Approved
0.629 Remote Similarity NPD7290 Approved
0.6279 Remote Similarity NPD7516 Approved
0.6269 Remote Similarity NPD6033 Approved
0.626 Remote Similarity NPD7320 Approved
0.626 Remote Similarity NPD5345 Clinical (unspecified phase)
0.624 Remote Similarity NPD6847 Approved
0.624 Remote Similarity NPD6617 Approved
0.624 Remote Similarity NPD6869 Approved
0.624 Remote Similarity NPD8130 Phase 1
0.6231 Remote Similarity NPD8294 Approved
0.6231 Remote Similarity NPD8377 Approved
0.6212 Remote Similarity NPD7604 Phase 2
0.621 Remote Similarity NPD6012 Approved
0.621 Remote Similarity NPD6013 Approved
0.621 Remote Similarity NPD6014 Approved
0.6183 Remote Similarity NPD8296 Approved
0.6183 Remote Similarity NPD8335 Approved
0.6183 Remote Similarity NPD8380 Approved
0.6183 Remote Similarity NPD5983 Phase 2
0.6183 Remote Similarity NPD8379 Approved
0.6183 Remote Similarity NPD8378 Approved
0.6179 Remote Similarity NPD5701 Approved
0.6176 Remote Similarity NPD8391 Approved
0.6176 Remote Similarity NPD8390 Approved
0.6176 Remote Similarity NPD8392 Approved
0.6176 Remote Similarity NPD5956 Approved
0.6174 Remote Similarity NPD7637 Suspended
0.616 Remote Similarity NPD4634 Approved
0.6154 Remote Similarity NPD5695 Phase 3
0.6142 Remote Similarity NPD8133 Approved
0.6134 Remote Similarity NPD5696 Approved
0.6134 Remote Similarity NPD4225 Approved
0.6129 Remote Similarity NPD6011 Approved
0.6124 Remote Similarity NPD7115 Discovery
0.6119 Remote Similarity NPD6336 Discontinued
0.6087 Remote Similarity NPD6845 Suspended
0.6075 Remote Similarity NPD4756 Discovery
0.6033 Remote Similarity NPD5344 Discontinued
0.6017 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5984 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5982 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5971 Remote Similarity NPD8338 Approved
0.5965 Remote Similarity NPD4251 Approved
0.5965 Remote Similarity NPD4250 Approved
0.595 Remote Similarity NPD6648 Approved
0.5923 Remote Similarity NPD6274 Approved
0.5913 Remote Similarity NPD5737 Approved
0.5913 Remote Similarity NPD6672 Approved
0.5909 Remote Similarity NPD7100 Approved
0.5909 Remote Similarity NPD7101 Approved
0.5909 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5897 Remote Similarity NPD6050 Approved
0.5878 Remote Similarity NPD7500 Approved
0.5877 Remote Similarity NPD4249 Approved
0.5868 Remote Similarity NPD7638 Approved
0.5865 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5856 Remote Similarity NPD5369 Approved
0.5852 Remote Similarity NPD6067 Discontinued
0.5847 Remote Similarity NPD6399 Phase 3
0.5833 Remote Similarity NPD6335 Approved
0.5827 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5821 Remote Similarity NPD6921 Approved
0.582 Remote Similarity NPD7640 Approved
0.582 Remote Similarity NPD4696 Approved
0.582 Remote Similarity NPD5285 Approved
0.582 Remote Similarity NPD7639 Approved
0.582 Remote Similarity NPD5286 Approved
0.5818 Remote Similarity NPD7329 Approved
0.5812 Remote Similarity NPD5692 Phase 3
0.5804 Remote Similarity NPD6435 Approved
0.5798 Remote Similarity NPD7748 Approved
0.5789 Remote Similarity NPD5363 Approved
0.5789 Remote Similarity NPD1696 Phase 3
0.5785 Remote Similarity NPD7902 Approved
0.5785 Remote Similarity NPD4755 Approved
0.5766 Remote Similarity NPD8273 Phase 1
0.5766 Remote Similarity NPD4695 Discontinued
0.5763 Remote Similarity NPD5694 Approved
0.5763 Remote Similarity NPD7515 Phase 2
0.5758 Remote Similarity NPD6317 Approved
0.5752 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5752 Remote Similarity NPD7154 Phase 3
0.5752 Remote Similarity NPD3669 Approved
0.575 Remote Similarity NPD4629 Approved
0.575 Remote Similarity NPD5210 Approved
0.5739 Remote Similarity NPD5279 Phase 3
0.5734 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5732 Remote Similarity NPD7799 Discontinued
0.5726 Remote Similarity NPD8085 Approved
0.5726 Remote Similarity NPD8083 Approved
0.5726 Remote Similarity NPD5226 Approved
0.5726 Remote Similarity NPD8138 Approved
0.5726 Remote Similarity NPD6673 Approved
0.5726 Remote Similarity NPD5224 Approved
0.5726 Remote Similarity NPD6080 Approved
0.5726 Remote Similarity NPD8086 Approved
0.5726 Remote Similarity NPD8139 Approved
0.5726 Remote Similarity NPD8084 Approved
0.5726 Remote Similarity NPD4753 Phase 2
0.5726 Remote Similarity NPD8082 Approved
0.5726 Remote Similarity NPD5225 Approved
0.5726 Remote Similarity NPD5211 Phase 2
0.5726 Remote Similarity NPD6904 Approved
0.5726 Remote Similarity NPD4633 Approved
0.5714 Remote Similarity NPD6008 Approved
0.5714 Remote Similarity NPD6314 Approved
0.5714 Remote Similarity NPD6313 Approved
0.5714 Remote Similarity NPD6914 Discontinued
0.5704 Remote Similarity NPD6908 Approved
0.5704 Remote Similarity NPD6909 Approved
0.5691 Remote Similarity NPD4700 Approved
0.569 Remote Similarity NPD7524 Approved
0.5682 Remote Similarity NPD6868 Approved
0.568 Remote Similarity NPD8275 Approved
0.568 Remote Similarity NPD8276 Approved
0.568 Remote Similarity NPD5175 Approved
0.568 Remote Similarity NPD1407 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3426556
ZINC  

Physicochemical Properties

Molecular Weight:  554.24
ALogP:  -1.2057
MLogP:  3.11
XLogP:  -0.147
# Rotatable Bonds:  20
Polar Surface Area:  200.28
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  39

Download Data

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