Natural Product: NPC222833

Natural Product ID:  NPC222833
Common Name:   Lungshengenin G
IUPAC Name:  
Synonyms:   Lungshengenin G
Molecular Formula:   C24H32O8
Standard InCHIKey:  XYPNXTCMSPMGTM-WAKZBFPMSA-N
Standard InCHI:  InChI=1S/C24H32O8/c1-10-13-7-14(27)18-23(6)17(15(28)9-24(18,8-13)19(10)29)22(4,5)21(32-12(3)26)16(20(23)30)31-11(2)25/h13-14,16-18,20-21,27,30H,1,7-9H2,2-6H3/t13-,14+,16+,17-,18+,20+,21+,23-,24+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](C([C@H]1OC(=O)C)(C)C)C(=O)C[C@]13[C@H]2[C@@H](O)C[C@H](C1)C(=C)C3=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
NPO13319 Isodon lungshengensis Species Lamiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 = 3.29 ug/ml 10425112

  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 NPC222833 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
0.9897 High Similarity NPC301787
0.9697 High Similarity NPC166993
0.96 High Similarity NPC273155
0.9596 High Similarity NPC138908
0.9596 High Similarity NPC200957
0.9588 High Similarity NPC252614
0.9485 High Similarity NPC293866
0.9394 High Similarity NPC277074
0.9394 High Similarity NPC122811
0.9394 High Similarity NPC209298
0.9381 High Similarity NPC162459
0.9381 High Similarity NPC20479
0.9381 High Similarity NPC38296
0.9381 High Similarity NPC89099
0.9381 High Similarity NPC38471
0.9381 High Similarity NPC28864
0.9381 High Similarity NPC98837
0.9293 High Similarity NPC275990
0.9278 High Similarity NPC10864
0.9216 High Similarity NPC231278
0.9216 High Similarity NPC218123
0.9216 High Similarity NPC112895
0.9192 High Similarity NPC46848
0.9175 High Similarity NPC29410
0.9175 High Similarity NPC200054
0.9118 High Similarity NPC176949
0.9118 High Similarity NPC201908
0.9091 High Similarity NPC470388
0.9072 High Similarity NPC98639
0.9038 High Similarity NPC85391
0.9038 High Similarity NPC137104
0.9038 High Similarity NPC320383
0.9038 High Similarity NPC474786
0.9029 High Similarity NPC63841
0.899 High Similarity NPC471038
0.898 High Similarity NPC104568
0.8962 High Similarity NPC471252
0.8942 High Similarity NPC131903
0.8942 High Similarity NPC274827
0.8932 High Similarity NPC186054
0.8911 High Similarity NPC304832
0.8911 High Similarity NPC214946
0.8911 High Similarity NPC246736
0.8911 High Similarity NPC88203
0.8911 High Similarity NPC286519
0.8911 High Similarity NPC76866
0.8911 High Similarity NPC148628
0.8868 High Similarity NPC474927
0.8866 High Similarity NPC294263
0.8857 High Similarity NPC100908
0.8857 High Similarity NPC471093
0.8846 High Similarity NPC473410
0.8846 High Similarity NPC471094
0.8846 High Similarity NPC469984
0.8824 High Similarity NPC87927
0.8812 High Similarity NPC253886
0.8812 High Similarity NPC289148
0.8812 High Similarity NPC52899
0.8812 High Similarity NPC121218
0.8812 High Similarity NPC163963
0.8812 High Similarity NPC236585
0.88 High Similarity NPC474793
0.8788 High Similarity NPC256227
0.8788 High Similarity NPC329910
0.8774 High Similarity NPC29505
0.8774 High Similarity NPC213320
0.875 High Similarity NPC471474
0.8738 High Similarity NPC47281
0.8738 High Similarity NPC98603
0.8738 High Similarity NPC84928
0.8725 High Similarity NPC170615
0.8716 High Similarity NPC473304
0.8713 High Similarity NPC287676
0.8713 High Similarity NPC293890
0.8692 High Similarity NPC473397
0.8687 High Similarity NPC470229
0.8687 High Similarity NPC470232
0.8667 High Similarity NPC55973
0.8654 High Similarity NPC28791
0.8654 High Similarity NPC130511
0.8654 High Similarity NPC50535
0.8654 High Similarity NPC56656
0.8654 High Similarity NPC295366
0.8654 High Similarity NPC307660
0.8641 High Similarity NPC216114
0.8641 High Similarity NPC139347
0.8641 High Similarity NPC96217
0.8624 High Similarity NPC88945
0.8614 High Similarity NPC78427
0.8614 High Similarity NPC16911
0.8611 High Similarity NPC132668
0.8598 High Similarity NPC94650
0.8586 High Similarity NPC470385
0.8586 High Similarity NPC470386
0.8586 High Similarity NPC47853
0.8586 High Similarity NPC475118
0.8585 High Similarity NPC102741
0.8571 High Similarity NPC251824
0.8571 High Similarity NPC86852
0.8571 High Similarity NPC67745
0.8571 High Similarity NPC471461
0.8558 High Similarity NPC65523
0.8529 High Similarity NPC127408
0.8529 High Similarity NPC291785
0.8519 High Similarity NPC471245
0.8519 High Similarity NPC473352
0.8505 High Similarity NPC473324
0.8491 Intermediate Similarity NPC189663
0.8491 Intermediate Similarity NPC89860
0.8476 Intermediate Similarity NPC102352
0.8476 Intermediate Similarity NPC37600
0.8462 Intermediate Similarity NPC61442
0.8462 Intermediate Similarity NPC225238
0.8447 Intermediate Similarity NPC295276
0.8447 Intermediate Similarity NPC148279
0.8447 Intermediate Similarity NPC471790
0.844 Intermediate Similarity NPC471248
0.8426 Intermediate Similarity NPC122339
0.8416 Intermediate Similarity NPC470387
0.8416 Intermediate Similarity NPC219353
0.8416 Intermediate Similarity NPC169270
0.8416 Intermediate Similarity NPC13949
0.8416 Intermediate Similarity NPC306797
0.8416 Intermediate Similarity NPC292718
0.8416 Intermediate Similarity NPC111834
0.8411 Intermediate Similarity NPC252679
0.8411 Intermediate Similarity NPC8431
0.8411 Intermediate Similarity NPC310546
0.8411 Intermediate Similarity NPC469983
0.8411 Intermediate Similarity NPC118721
0.84 Intermediate Similarity NPC277399
0.8384 Intermediate Similarity NPC470230
0.8384 Intermediate Similarity NPC219516
0.8384 Intermediate Similarity NPC211403
0.8384 Intermediate Similarity NPC250753
0.8384 Intermediate Similarity NPC198242
0.8364 Intermediate Similarity NPC243354
0.8351 Intermediate Similarity NPC153604
0.835 Intermediate Similarity NPC477655
0.835 Intermediate Similarity NPC267921
0.835 Intermediate Similarity NPC477656
0.835 Intermediate Similarity NPC94906
0.8349 Intermediate Similarity NPC473303
0.8349 Intermediate Similarity NPC472719
0.8349 Intermediate Similarity NPC207845
0.8349 Intermediate Similarity NPC471244
0.8333 Intermediate Similarity NPC471476
0.8333 Intermediate Similarity NPC274793
0.8333 Intermediate Similarity NPC170978
0.8333 Intermediate Similarity NPC111348
0.8318 Intermediate Similarity NPC154608
0.8318 Intermediate Similarity NPC192813
0.8318 Intermediate Similarity NPC232133
0.8318 Intermediate Similarity NPC277017
0.8318 Intermediate Similarity NPC37628
0.8317 Intermediate Similarity NPC241047
0.8317 Intermediate Similarity NPC210214
0.8302 Intermediate Similarity NPC4115
0.83 Intermediate Similarity NPC244356
0.83 Intermediate Similarity NPC291373
0.83 Intermediate Similarity NPC224060
0.8288 Intermediate Similarity NPC40632
0.8288 Intermediate Similarity NPC328374
0.8288 Intermediate Similarity NPC251236
0.8288 Intermediate Similarity NPC229752
0.8288 Intermediate Similarity NPC96312
0.8273 Intermediate Similarity NPC194273
0.8273 Intermediate Similarity NPC49451
0.8273 Intermediate Similarity NPC320118
0.8273 Intermediate Similarity NPC962
0.8273 Intermediate Similarity NPC73986
0.8273 Intermediate Similarity NPC250109
0.8269 Intermediate Similarity NPC71706
0.8269 Intermediate Similarity NPC14634
0.8257 Intermediate Similarity NPC274833
0.8257 Intermediate Similarity NPC471243
0.8257 Intermediate Similarity NPC329953
0.8257 Intermediate Similarity NPC157476
0.8257 Intermediate Similarity NPC63244
0.8257 Intermediate Similarity NPC470281
0.8252 Intermediate Similarity NPC26270
0.8252 Intermediate Similarity NPC472028
0.8247 Intermediate Similarity NPC471042
0.8241 Intermediate Similarity NPC154906
0.8241 Intermediate Similarity NPC240125
0.8241 Intermediate Similarity NPC91583
0.8224 Intermediate Similarity NPC284732
0.8224 Intermediate Similarity NPC61071
0.8224 Intermediate Similarity NPC144854
0.8224 Intermediate Similarity NPC78966
0.8224 Intermediate Similarity NPC96333
0.8224 Intermediate Similarity NPC3316
0.8224 Intermediate Similarity NPC88833
0.8224 Intermediate Similarity NPC59530
0.8224 Intermediate Similarity NPC230541
0.8218 Intermediate Similarity NPC292374
0.8218 Intermediate Similarity NPC111524
0.8218 Intermediate Similarity NPC104371
0.8218 Intermediate Similarity NPC91772
0.8218 Intermediate Similarity NPC261333

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC222833 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
0.802 Intermediate Similarity NPD8034 Phase 2
0.802 Intermediate Similarity NPD8035 Phase 2
0.7982 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7928 Intermediate Similarity NPD6650 Approved
0.7928 Intermediate Similarity NPD6649 Approved
0.7909 Intermediate Similarity NPD6373 Approved
0.7909 Intermediate Similarity NPD6372 Approved
0.7857 Intermediate Similarity NPD8297 Approved
0.7845 Intermediate Similarity NPD6319 Approved
0.7788 Intermediate Similarity NPD4632 Approved
0.7748 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD6881 Approved
0.7658 Intermediate Similarity NPD6899 Approved
0.7636 Intermediate Similarity NPD6402 Approved
0.7636 Intermediate Similarity NPD5739 Approved
0.7636 Intermediate Similarity NPD7128 Approved
0.7636 Intermediate Similarity NPD6675 Approved
0.7632 Intermediate Similarity NPD8133 Approved
0.76 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD6399 Phase 3
0.7568 Intermediate Similarity NPD5697 Approved
0.7544 Intermediate Similarity NPD6882 Approved
0.7522 Intermediate Similarity NPD7102 Approved
0.7522 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7522 Intermediate Similarity NPD7290 Approved
0.7522 Intermediate Similarity NPD6883 Approved
0.7521 Intermediate Similarity NPD7507 Approved
0.75 Intermediate Similarity NPD8328 Phase 3
0.75 Intermediate Similarity NPD7320 Approved
0.748 Intermediate Similarity NPD7319 Approved
0.7477 Intermediate Similarity NPD7902 Approved
0.7456 Intermediate Similarity NPD6847 Approved
0.7456 Intermediate Similarity NPD8130 Phase 1
0.7456 Intermediate Similarity NPD6617 Approved
0.7456 Intermediate Similarity NPD6869 Approved
0.7438 Intermediate Similarity NPD7492 Approved
0.7436 Intermediate Similarity NPD6009 Approved
0.7434 Intermediate Similarity NPD6013 Approved
0.7434 Intermediate Similarity NPD6012 Approved
0.7434 Intermediate Similarity NPD6014 Approved
0.7434 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD5701 Approved
0.7407 Intermediate Similarity NPD7638 Approved
0.7398 Intermediate Similarity NPD7736 Approved
0.7395 Intermediate Similarity NPD6054 Approved
0.7377 Intermediate Similarity NPD6616 Approved
0.7355 Intermediate Similarity NPD7604 Phase 2
0.7345 Intermediate Similarity NPD6686 Approved
0.7345 Intermediate Similarity NPD6011 Approved
0.7339 Intermediate Similarity NPD7640 Approved
0.7339 Intermediate Similarity NPD7639 Approved
0.7333 Intermediate Similarity NPD6921 Approved
0.7333 Intermediate Similarity NPD5983 Phase 2
0.7333 Intermediate Similarity NPD6079 Approved
0.7321 Intermediate Similarity NPD6008 Approved
0.7317 Intermediate Similarity NPD7078 Approved
0.7308 Intermediate Similarity NPD5328 Approved
0.7288 Intermediate Similarity NPD7115 Discovery
0.7288 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6370 Approved
0.7257 Intermediate Similarity NPD6412 Phase 2
0.7257 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD6059 Approved
0.7245 Intermediate Similarity NPD6115 Approved
0.7245 Intermediate Similarity NPD6114 Approved
0.7245 Intermediate Similarity NPD6697 Approved
0.7245 Intermediate Similarity NPD6118 Approved
0.7236 Intermediate Similarity NPD6336 Discontinued
0.7222 Intermediate Similarity NPD4697 Phase 3
0.7217 Intermediate Similarity NPD4634 Approved
0.7196 Intermediate Similarity NPD7900 Approved
0.7196 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7748 Approved
0.719 Intermediate Similarity NPD6016 Approved
0.719 Intermediate Similarity NPD6015 Approved
0.7182 Intermediate Similarity NPD5286 Approved
0.7182 Intermediate Similarity NPD5285 Approved
0.7182 Intermediate Similarity NPD4696 Approved
0.7177 Intermediate Similarity NPD8293 Discontinued
0.717 Intermediate Similarity NPD7515 Phase 2
0.7167 Intermediate Similarity NPD7516 Approved
0.7156 Intermediate Similarity NPD4755 Approved
0.7155 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6116 Phase 1
0.7131 Intermediate Similarity NPD5988 Approved
0.7083 Intermediate Similarity NPD7328 Approved
0.7083 Intermediate Similarity NPD7327 Approved
0.708 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5222 Approved
0.7064 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5221 Approved
0.7059 Intermediate Similarity NPD6274 Approved
0.7059 Intermediate Similarity NPD4788 Approved
0.7054 Intermediate Similarity NPD5225 Approved
0.7054 Intermediate Similarity NPD5226 Approved
0.7054 Intermediate Similarity NPD4633 Approved
0.7054 Intermediate Similarity NPD5224 Approved
0.7054 Intermediate Similarity NPD5211 Phase 2
0.7041 Intermediate Similarity NPD6117 Approved
0.7027 Intermediate Similarity NPD4700 Approved
0.7025 Intermediate Similarity NPD7100 Approved
0.7025 Intermediate Similarity NPD7101 Approved
0.7019 Intermediate Similarity NPD3618 Phase 1
0.7 Intermediate Similarity NPD5173 Approved
0.7 Intermediate Similarity NPD6083 Phase 2
0.7 Intermediate Similarity NPD6084 Phase 2
0.6991 Remote Similarity NPD5174 Approved
0.6991 Remote Similarity NPD5175 Approved
0.6964 Remote Similarity NPD5223 Approved
0.6942 Remote Similarity NPD6335 Approved
0.6939 Remote Similarity NPD3703 Phase 2
0.6937 Remote Similarity NPD4225 Approved
0.693 Remote Similarity NPD5141 Approved
0.6917 Remote Similarity NPD6868 Approved
0.6911 Remote Similarity NPD8335 Approved
0.6911 Remote Similarity NPD8380 Approved
0.6911 Remote Similarity NPD8379 Approved
0.6911 Remote Similarity NPD8296 Approved
0.6911 Remote Similarity NPD8378 Approved
0.6903 Remote Similarity NPD7632 Discontinued
0.6897 Remote Similarity NPD4730 Approved
0.6897 Remote Similarity NPD4729 Approved
0.687 Remote Similarity NPD4768 Approved
0.687 Remote Similarity NPD4767 Approved
0.686 Remote Similarity NPD6317 Approved
0.6837 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6829 Remote Similarity NPD8294 Approved
0.6829 Remote Similarity NPD8377 Approved
0.6827 Remote Similarity NPD4786 Approved
0.6803 Remote Similarity NPD6313 Approved
0.6803 Remote Similarity NPD6314 Approved
0.6789 Remote Similarity NPD4202 Approved
0.6786 Remote Similarity NPD5696 Approved
0.678 Remote Similarity NPD5247 Approved
0.678 Remote Similarity NPD5251 Approved
0.678 Remote Similarity NPD5249 Phase 3
0.678 Remote Similarity NPD5250 Approved
0.678 Remote Similarity NPD5248 Approved
0.6774 Remote Similarity NPD6908 Approved
0.6774 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6774 Remote Similarity NPD8033 Approved
0.6774 Remote Similarity NPD6909 Approved
0.6752 Remote Similarity NPD5128 Approved
0.6729 Remote Similarity NPD6672 Approved
0.6729 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6729 Remote Similarity NPD5737 Approved
0.6719 Remote Similarity NPD6033 Approved
0.6698 Remote Similarity NPD7334 Approved
0.6698 Remote Similarity NPD6684 Approved
0.6698 Remote Similarity NPD6409 Approved
0.6698 Remote Similarity NPD7146 Approved
0.6698 Remote Similarity NPD7521 Approved
0.6698 Remote Similarity NPD5330 Approved
0.6696 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1700 Approved
0.664 Remote Similarity NPD7503 Approved
0.6636 Remote Similarity NPD3573 Approved
0.6635 Remote Similarity NPD3667 Approved
0.6633 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6633 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6602 Remote Similarity NPD7525 Registered
0.6583 Remote Similarity NPD5217 Approved
0.6583 Remote Similarity NPD5216 Approved
0.6583 Remote Similarity NPD5215 Approved
0.6574 Remote Similarity NPD6903 Approved
0.6545 Remote Similarity NPD6411 Approved
0.6535 Remote Similarity NPD6067 Discontinued
0.6529 Remote Similarity NPD6053 Discontinued
0.6522 Remote Similarity NPD5344 Discontinued
0.6518 Remote Similarity NPD5210 Approved
0.6518 Remote Similarity NPD4629 Approved
0.6514 Remote Similarity NPD4753 Phase 2
0.6509 Remote Similarity NPD3665 Phase 1
0.6509 Remote Similarity NPD3133 Approved
0.6509 Remote Similarity NPD3666 Approved
0.65 Remote Similarity NPD6371 Approved
0.65 Remote Similarity NPD5134 Clinical (unspecified phase)
0.65 Remote Similarity NPD5169 Approved
0.65 Remote Similarity NPD5135 Approved
0.6481 Remote Similarity NPD7524 Approved
0.6471 Remote Similarity NPD5168 Approved
0.6455 Remote Similarity NPD46 Approved
0.6455 Remote Similarity NPD6698 Approved
0.6446 Remote Similarity NPD5127 Approved
0.6439 Remote Similarity NPD7260 Phase 2
0.6429 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6429 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6396 Remote Similarity NPD7637 Suspended
0.6396 Remote Similarity NPD7983 Approved
0.6396 Remote Similarity NPD5281 Approved
0.6396 Remote Similarity NPD5284 Approved
0.6389 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6378 Remote Similarity NPD8513 Phase 3
0.6378 Remote Similarity NPD8516 Approved
0.6378 Remote Similarity NPD8517 Approved
0.6378 Remote Similarity NPD8515 Approved
0.6364 Remote Similarity NPD6101 Approved
0.6364 Remote Similarity NPD6673 Approved

Structure

External Identifiers

PubChem CID   44566342
ChEMBL   CHEMBL491518
ZINC  

Physicochemical Properties

Molecular Weight:  448.21
ALogP:  -0.4538
MLogP:  3.22
XLogP:  -0.085
# Rotatable Bonds:  11
Polar Surface Area:  127.2
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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