Natural Product: NPC472507

Natural Product ID:  NPC472507
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H36O11
Standard InCHIKey:  IBKYMZARVDRFQT-PFQWCQPSSA-N
Standard InCHI:  InChI=1S/C27H36O11/c1-13(2)15-5-6-16-9-19(18(28)7-14(3)17(16)8-15)37-26-25(34)24(33)23(32)20(38-26)12-36-22(31)11-27(4,35)10-21(29)30/h7,9,15,20,23-26,32-35H,1,5-6,8,10-12H2,2-4H3,(H,29,30)/t15-,20-,23-,24+,25-,26-,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(=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 = 34000 nM 17536856
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 NPC472507 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 NPC472508
0.7745 Intermediate Similarity NPC471755
0.7745 Intermediate Similarity NPC471756
0.7736 Intermediate Similarity NPC256230
0.7624 Intermediate Similarity NPC477746
0.7624 Intermediate Similarity NPC477747
0.7619 Intermediate Similarity NPC61201
0.7611 Intermediate Similarity NPC23497
0.7596 Intermediate Similarity NPC6414
0.7596 Intermediate Similarity NPC473311
0.7596 Intermediate Similarity NPC303451
0.7583 Intermediate Similarity NPC216866
0.7544 Intermediate Similarity NPC89408
0.7541 Intermediate Similarity NPC198714
0.7524 Intermediate Similarity NPC472199
0.7524 Intermediate Similarity NPC477749
0.7523 Intermediate Similarity NPC324667
0.7522 Intermediate Similarity NPC327106
0.7521 Intermediate Similarity NPC1980
0.7521 Intermediate Similarity NPC141196
0.7521 Intermediate Similarity NPC238005
0.7521 Intermediate Similarity NPC31797
0.7479 Intermediate Similarity NPC319570
0.7477 Intermediate Similarity NPC469543
0.7477 Intermediate Similarity NPC170204
0.7456 Intermediate Similarity NPC133625
0.7453 Intermediate Similarity NPC478036
0.7453 Intermediate Similarity NPC320552
0.7453 Intermediate Similarity NPC478037
0.7429 Intermediate Similarity NPC117596
0.7429 Intermediate Similarity NPC202886
0.7429 Intermediate Similarity NPC327253
0.7419 Intermediate Similarity NPC295220
0.7419 Intermediate Similarity NPC475636
0.7417 Intermediate Similarity NPC472076
0.7417 Intermediate Similarity NPC472075
0.7407 Intermediate Similarity NPC173329
0.7407 Intermediate Similarity NPC288350
0.7395 Intermediate Similarity NPC297179
0.7395 Intermediate Similarity NPC13710
0.7383 Intermediate Similarity NPC472198
0.7377 Intermediate Similarity NPC472077
0.7377 Intermediate Similarity NPC472078
0.7364 Intermediate Similarity NPC469871
0.7364 Intermediate Similarity NPC469870
0.7364 Intermediate Similarity NPC596
0.736 Intermediate Similarity NPC54614
0.736 Intermediate Similarity NPC309096
0.7355 Intermediate Similarity NPC473228
0.7355 Intermediate Similarity NPC470829
0.7355 Intermediate Similarity NPC42675
0.7355 Intermediate Similarity NPC275675
0.7345 Intermediate Similarity NPC469852
0.7333 Intermediate Similarity NPC477748
0.7333 Intermediate Similarity NPC127530
0.7321 Intermediate Similarity NPC469980
0.7321 Intermediate Similarity NPC104161
0.7321 Intermediate Similarity NPC118902
0.7317 Intermediate Similarity NPC30188
0.7317 Intermediate Similarity NPC6615
0.7317 Intermediate Similarity NPC7850
0.7317 Intermediate Similarity NPC177820
0.7315 Intermediate Similarity NPC101051
0.7315 Intermediate Similarity NPC108141
0.7311 Intermediate Similarity NPC309433
0.7302 Intermediate Similarity NPC213634
0.7295 Intermediate Similarity NPC471965
0.729 Intermediate Similarity NPC472196
0.729 Intermediate Similarity NPC238090
0.729 Intermediate Similarity NPC472195
0.7287 Intermediate Similarity NPC141215
0.7287 Intermediate Similarity NPC471089
0.7287 Intermediate Similarity NPC190065
0.7281 Intermediate Similarity NPC266514
0.7281 Intermediate Similarity NPC474285
0.7281 Intermediate Similarity NPC469853
0.7281 Intermediate Similarity NPC254538
0.7273 Intermediate Similarity NPC70733
0.7273 Intermediate Similarity NPC56071
0.7265 Intermediate Similarity NPC66108
0.7258 Intermediate Similarity NPC222307
0.7258 Intermediate Similarity NPC87662
0.7258 Intermediate Similarity NPC93368
0.7257 Intermediate Similarity NPC86095
0.7257 Intermediate Similarity NPC264584
0.725 Intermediate Similarity NPC475309
0.725 Intermediate Similarity NPC176005
0.7248 Intermediate Similarity NPC241911
0.7238 Intermediate Similarity NPC137368
0.7236 Intermediate Similarity NPC262199
0.7236 Intermediate Similarity NPC227397
0.7236 Intermediate Similarity NPC471961
0.7236 Intermediate Similarity NPC471964
0.7236 Intermediate Similarity NPC14617
0.7236 Intermediate Similarity NPC202666
0.7232 Intermediate Similarity NPC471599
0.7232 Intermediate Similarity NPC476126
0.7232 Intermediate Similarity NPC13171
0.7232 Intermediate Similarity NPC222062
0.7232 Intermediate Similarity NPC476235
0.7232 Intermediate Similarity NPC195510
0.7231 Intermediate Similarity NPC140045
0.7231 Intermediate Similarity NPC295885
0.7227 Intermediate Similarity NPC235539
0.7227 Intermediate Similarity NPC134869
0.7227 Intermediate Similarity NPC152199
0.7222 Intermediate Similarity NPC159698
0.7222 Intermediate Similarity NPC294293
0.7217 Intermediate Similarity NPC473288
0.7217 Intermediate Similarity NPC473807
0.7213 Intermediate Similarity NPC75417
0.7209 Intermediate Similarity NPC262813
0.7207 Intermediate Similarity NPC255677
0.7207 Intermediate Similarity NPC306344
0.7207 Intermediate Similarity NPC22149
0.7203 Intermediate Similarity NPC326264
0.72 Intermediate Similarity NPC152091
0.7196 Intermediate Similarity NPC472126
0.7196 Intermediate Similarity NPC472124
0.7196 Intermediate Similarity NPC472197
0.7196 Intermediate Similarity NPC472125
0.719 Intermediate Similarity NPC470777
0.719 Intermediate Similarity NPC279143
0.7182 Intermediate Similarity NPC474194
0.7182 Intermediate Similarity NPC278506
0.7182 Intermediate Similarity NPC476612
0.7182 Intermediate Similarity NPC476613
0.7177 Intermediate Similarity NPC190846
0.7177 Intermediate Similarity NPC470922
0.7177 Intermediate Similarity NPC469842
0.7177 Intermediate Similarity NPC277191
0.7177 Intermediate Similarity NPC471963
0.7177 Intermediate Similarity NPC471962
0.7177 Intermediate Similarity NPC469841
0.7177 Intermediate Similarity NPC247315
0.7168 Intermediate Similarity NPC234304
0.7168 Intermediate Similarity NPC197736
0.7168 Intermediate Similarity NPC267869
0.7168 Intermediate Similarity NPC197541
0.7168 Intermediate Similarity NPC118761
0.7168 Intermediate Similarity NPC284929
0.7167 Intermediate Similarity NPC23046
0.7167 Intermediate Similarity NPC224121
0.7155 Intermediate Similarity NPC38154
0.7154 Intermediate Similarity NPC275343
0.7154 Intermediate Similarity NPC251998
0.7154 Intermediate Similarity NPC287236
0.7143 Intermediate Similarity NPC4637
0.7143 Intermediate Similarity NPC18547
0.7143 Intermediate Similarity NPC476213
0.7143 Intermediate Similarity NPC477870
0.7143 Intermediate Similarity NPC476611
0.7143 Intermediate Similarity NPC475037
0.7143 Intermediate Similarity NPC98859
0.7143 Intermediate Similarity NPC477871
0.7143 Intermediate Similarity NPC476246
0.7143 Intermediate Similarity NPC270109
0.7143 Intermediate Similarity NPC219038
0.7143 Intermediate Similarity NPC28304
0.7143 Intermediate Similarity NPC474906
0.7143 Intermediate Similarity NPC298255
0.7129 Intermediate Similarity NPC100697
0.712 Intermediate Similarity NPC181066
0.712 Intermediate Similarity NPC285091
0.712 Intermediate Similarity NPC469947
0.7117 Intermediate Similarity NPC198422
0.7117 Intermediate Similarity NPC40182
0.7117 Intermediate Similarity NPC472015
0.7117 Intermediate Similarity NPC161855
0.7115 Intermediate Similarity NPC470177
0.7115 Intermediate Similarity NPC470124
0.7109 Intermediate Similarity NPC100390
0.7109 Intermediate Similarity NPC254614
0.7107 Intermediate Similarity NPC286347
0.7107 Intermediate Similarity NPC17772
0.7107 Intermediate Similarity NPC204552
0.7107 Intermediate Similarity NPC188667
0.7107 Intermediate Similarity NPC234522
0.7105 Intermediate Similarity NPC472748
0.7105 Intermediate Similarity NPC469869
0.7103 Intermediate Similarity NPC307699
0.7094 Intermediate Similarity NPC127153
0.7091 Intermediate Similarity NPC255410
0.7087 Intermediate Similarity NPC477077
0.7087 Intermediate Similarity NPC477079
0.7087 Intermediate Similarity NPC470913
0.7087 Intermediate Similarity NPC477076
0.708 Intermediate Similarity NPC261117
0.708 Intermediate Similarity NPC310804
0.708 Intermediate Similarity NPC223834
0.708 Intermediate Similarity NPC201191
0.708 Intermediate Similarity NPC39996
0.7075 Intermediate Similarity NPC201046
0.7073 Intermediate Similarity NPC187950
0.7073 Intermediate Similarity NPC278163
0.7069 Intermediate Similarity NPC193765
0.7069 Intermediate Similarity NPC264819
0.7064 Intermediate Similarity NPC96736
0.7064 Intermediate Similarity NPC25701
0.7064 Intermediate Similarity NPC178949

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472507 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
0.7236 Intermediate Similarity NPD8328 Phase 3
0.7117 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD8080 Discontinued
0.6935 Remote Similarity NPD8517 Approved
0.6935 Remote Similarity NPD8516 Approved
0.6935 Remote Similarity NPD8515 Approved
0.6935 Remote Similarity NPD8513 Phase 3
0.6923 Remote Similarity NPD6686 Approved
0.6885 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6881 Remote Similarity NPD7983 Approved
0.688 Remote Similarity NPD6370 Approved
0.6875 Remote Similarity NPD7736 Approved
0.6838 Remote Similarity NPD6412 Phase 2
0.6829 Remote Similarity NPD7641 Discontinued
0.68 Remote Similarity NPD7503 Approved
0.68 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6797 Remote Similarity NPD8293 Discontinued
0.6789 Remote Similarity NPD6698 Approved
0.6789 Remote Similarity NPD46 Approved
0.6772 Remote Similarity NPD7492 Approved
0.6762 Remote Similarity NPD6110 Phase 1
0.672 Remote Similarity NPD6319 Approved
0.672 Remote Similarity NPD6054 Approved
0.6719 Remote Similarity NPD6616 Approved
0.6693 Remote Similarity NPD7830 Approved
0.6693 Remote Similarity NPD7829 Approved
0.6667 Remote Similarity NPD7078 Approved
0.6636 Remote Similarity NPD7838 Discovery
0.6587 Remote Similarity NPD6059 Approved
0.6557 Remote Similarity NPD6882 Approved
0.6555 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6535 Remote Similarity NPD6015 Approved
0.6535 Remote Similarity NPD8444 Approved
0.6535 Remote Similarity NPD6016 Approved
0.6491 Remote Similarity NPD7839 Suspended
0.6484 Remote Similarity NPD5988 Approved
0.648 Remote Similarity NPD8137 Clinical (unspecified phase)
0.648 Remote Similarity NPD6009 Approved
0.6475 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7966 Clinical (unspecified phase)
0.646 Remote Similarity NPD5282 Discontinued
0.6446 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6439 Remote Similarity NPD7319 Approved
0.6434 Remote Similarity NPD7642 Approved
0.6423 Remote Similarity NPD8297 Approved
0.6412 Remote Similarity NPD8074 Phase 3
0.6396 Remote Similarity NPD6101 Approved
0.6396 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6393 Remote Similarity NPD6371 Approved
0.6385 Remote Similarity NPD8340 Approved
0.6385 Remote Similarity NPD8342 Approved
0.6385 Remote Similarity NPD8341 Approved
0.6385 Remote Similarity NPD8299 Approved
0.6372 Remote Similarity NPD5778 Approved
0.6372 Remote Similarity NPD5779 Approved
0.6336 Remote Similarity NPD8451 Approved
0.6336 Remote Similarity NPD7507 Approved
0.629 Remote Similarity NPD6053 Discontinued
0.6288 Remote Similarity NPD8448 Approved
0.6283 Remote Similarity NPD6411 Approved
0.6241 Remote Similarity NPD8337 Approved
0.6241 Remote Similarity NPD8336 Approved
0.624 Remote Similarity NPD4632 Approved
0.623 Remote Similarity NPD6881 Approved
0.623 Remote Similarity NPD6899 Approved
0.6222 Remote Similarity NPD7260 Phase 2
0.621 Remote Similarity NPD6649 Approved
0.621 Remote Similarity NPD6650 Approved
0.6198 Remote Similarity NPD6675 Approved
0.6198 Remote Similarity NPD7128 Approved
0.6198 Remote Similarity NPD5739 Approved
0.6198 Remote Similarity NPD6402 Approved
0.619 Remote Similarity NPD4756 Discovery
0.6179 Remote Similarity NPD6373 Approved
0.6179 Remote Similarity NPD6372 Approved
0.6172 Remote Similarity NPD7328 Approved
0.6172 Remote Similarity NPD7327 Approved
0.6154 Remote Similarity NPD8033 Approved
0.6154 Remote Similarity NPD6083 Phase 2
0.6154 Remote Similarity NPD6084 Phase 2
0.6148 Remote Similarity NPD8390 Approved
0.6148 Remote Similarity NPD8392 Approved
0.6148 Remote Similarity NPD8391 Approved
0.6148 Remote Similarity NPD5697 Approved
0.6129 Remote Similarity NPD6883 Approved
0.6129 Remote Similarity NPD7102 Approved
0.6129 Remote Similarity NPD7290 Approved
0.6124 Remote Similarity NPD7516 Approved
0.6119 Remote Similarity NPD6033 Approved
0.6098 Remote Similarity NPD7320 Approved
0.6098 Remote Similarity NPD5345 Clinical (unspecified phase)
0.608 Remote Similarity NPD6847 Approved
0.608 Remote Similarity NPD6869 Approved
0.608 Remote Similarity NPD8130 Phase 1
0.608 Remote Similarity NPD6617 Approved
0.6077 Remote Similarity NPD8294 Approved
0.6077 Remote Similarity NPD8377 Approved
0.6061 Remote Similarity NPD7604 Phase 2
0.6048 Remote Similarity NPD6014 Approved
0.6048 Remote Similarity NPD6013 Approved
0.6048 Remote Similarity NPD6012 Approved
0.6031 Remote Similarity NPD5983 Phase 2
0.6031 Remote Similarity NPD8378 Approved
0.6031 Remote Similarity NPD8379 Approved
0.6031 Remote Similarity NPD8296 Approved
0.6031 Remote Similarity NPD8380 Approved
0.6031 Remote Similarity NPD8335 Approved
0.6029 Remote Similarity NPD5956 Approved
0.6016 Remote Similarity NPD5701 Approved
0.6 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD7637 Suspended
0.5984 Remote Similarity NPD8133 Approved
0.5983 Remote Similarity NPD5695 Phase 3
0.597 Remote Similarity NPD6336 Discontinued
0.5969 Remote Similarity NPD7115 Discovery
0.5968 Remote Similarity NPD6011 Approved
0.5966 Remote Similarity NPD4225 Approved
0.5966 Remote Similarity NPD5696 Approved
0.5946 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5942 Remote Similarity NPD6845 Suspended
0.5929 Remote Similarity NPD4250 Approved
0.5929 Remote Similarity NPD4251 Approved
0.5926 Remote Similarity NPD7329 Approved
0.5872 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5868 Remote Similarity NPD5344 Discontinued
0.5847 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5846 Remote Similarity NPD7500 Approved
0.5841 Remote Similarity NPD4249 Approved
0.5833 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5827 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5827 Remote Similarity NPD8338 Approved
0.5826 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5785 Remote Similarity NPD6648 Approved
0.5784 Remote Similarity NPD897 Approved
0.5784 Remote Similarity NPD898 Approved
0.5784 Remote Similarity NPD896 Approved
0.5772 Remote Similarity NPD1407 Approved
0.5769 Remote Similarity NPD6274 Approved
0.5758 Remote Similarity NPD7101 Approved
0.5758 Remote Similarity NPD7100 Approved
0.5739 Remote Similarity NPD5737 Approved
0.5739 Remote Similarity NPD6672 Approved
0.5735 Remote Similarity NPD8273 Phase 1
0.5726 Remote Similarity NPD6050 Approved
0.5714 Remote Similarity NPD7154 Phase 3
0.5704 Remote Similarity NPD6067 Discontinued
0.5704 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5702 Remote Similarity NPD7638 Approved
0.5691 Remote Similarity NPD8082 Approved
0.5691 Remote Similarity NPD8084 Approved
0.5691 Remote Similarity NPD8083 Approved
0.5691 Remote Similarity NPD8139 Approved
0.5691 Remote Similarity NPD8085 Approved
0.5691 Remote Similarity NPD8138 Approved
0.5691 Remote Similarity NPD8086 Approved
0.5686 Remote Similarity NPD3704 Approved
0.5682 Remote Similarity NPD6335 Approved
0.5678 Remote Similarity NPD6399 Phase 3
0.5676 Remote Similarity NPD5369 Approved
0.5672 Remote Similarity NPD6921 Approved
0.5669 Remote Similarity NPD4061 Clinical (unspecified phase)
0.566 Remote Similarity NPD3181 Approved
0.5656 Remote Similarity NPD7640 Approved
0.5656 Remote Similarity NPD7639 Approved
0.5656 Remote Similarity NPD4696 Approved
0.5656 Remote Similarity NPD5286 Approved
0.5656 Remote Similarity NPD5285 Approved
0.5645 Remote Similarity NPD8275 Approved
0.5645 Remote Similarity NPD8276 Approved
0.5641 Remote Similarity NPD5692 Phase 3
0.5634 Remote Similarity NPD8415 Approved
0.563 Remote Similarity NPD7748 Approved
0.5625 Remote Similarity NPD5209 Approved
0.5625 Remote Similarity NPD6435 Approved
0.562 Remote Similarity NPD4755 Approved
0.562 Remote Similarity NPD7902 Approved
0.5614 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5614 Remote Similarity NPD5363 Approved
0.5614 Remote Similarity NPD1696 Phase 3
0.561 Remote Similarity NPD7799 Discontinued
0.5606 Remote Similarity NPD6317 Approved
0.56 Remote Similarity NPD8081 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3426555
ZINC  

Physicochemical Properties

Molecular Weight:  536.23
ALogP:  -0.1856
MLogP:  3.22
XLogP:  1.213
# Rotatable Bonds:  18
Polar Surface Area:  180.05
# H-Bond Aceptor:  11
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  38

Download Data

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