Natural Product: NPC473410

Natural Product ID:  NPC473410
Common Name:   Xerophilusin H
IUPAC Name:  
Synonyms:   Xerophilusin H
Molecular Formula:   C22H30O7
Standard InCHIKey:  UDOQTYDWKGQXFY-XHXFTIAQSA-N
Standard InCHI:  InChI=1S/C22H30O7/c1-11-13-4-5-14-20-10-29-22(27,21(14,8-13)17(11)25)18(26)16(20)19(3,7-6-15(20)24)9-28-12(2)23/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13-,14+,15-,16-,18+,19+,20-,21+,22+/m1/s1
Canonical SMILES:  CC(=O)OC[C@]1(C)CC[C@H]([C@@]23[C@@H]1[C@H](O)[C@](O)(OC2)[C@]12[C@H]3CC[C@H](C1)C(=C)C2=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
NPO8404 Isodon xerophilus Species Lamiaceae Eukaryota PMID[17665952]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000 nM 22233864
NPT1097 Cell Line MKN-45 Homo sapiens IC50 > 10000 nM 22276679
NPT111 Cell Line K562 Homo sapiens IC50 > 10000 nM 18345641

  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 NPC473410 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
1.0 High Similarity NPC471094
1.0 High Similarity NPC469984
0.9899 High Similarity NPC471474
0.9802 High Similarity NPC474786
0.9802 High Similarity NPC320383
0.9802 High Similarity NPC85391
0.9802 High Similarity NPC137104
0.98 High Similarity NPC63841
0.9798 High Similarity NPC56656
0.9798 High Similarity NPC307660
0.9798 High Similarity NPC130511
0.9706 High Similarity NPC213320
0.9703 High Similarity NPC131903
0.9703 High Similarity NPC274827
0.9703 High Similarity NPC102741
0.97 High Similarity NPC186054
0.9612 High Similarity NPC473352
0.9612 High Similarity NPC474927
0.9612 High Similarity NPC473397
0.9608 High Similarity NPC471093
0.9604 High Similarity NPC189663
0.9604 High Similarity NPC89860
0.9519 High Similarity NPC132668
0.9515 High Similarity NPC29505
0.951 High Similarity NPC252679
0.951 High Similarity NPC118721
0.9417 High Similarity NPC471476
0.9412 High Similarity NPC55973
0.94 High Similarity NPC139347
0.9394 High Similarity NPC14634
0.934 High Similarity NPC88945
0.934 High Similarity NPC229752
0.9333 High Similarity NPC471252
0.9333 High Similarity NPC194273
0.9327 High Similarity NPC63244
0.9314 High Similarity NPC471461
0.9314 High Similarity NPC67745
0.9307 High Similarity NPC202793
0.9252 High Similarity NPC78836
0.9245 High Similarity NPC243354
0.9238 High Similarity NPC471244
0.9231 High Similarity NPC473324
0.9223 High Similarity NPC232133
0.9208 High Similarity NPC209298
0.9208 High Similarity NPC277074
0.9151 High Similarity NPC320118
0.9151 High Similarity NPC471248
0.9151 High Similarity NPC94141
0.9143 High Similarity NPC56025
0.9143 High Similarity NPC122339
0.9143 High Similarity NPC471243
0.9135 High Similarity NPC469983
0.9126 High Similarity NPC166993
0.91 High Similarity NPC470388
0.9074 High Similarity NPC473304
0.9065 High Similarity NPC17165
0.9057 High Similarity NPC157929
0.9057 High Similarity NPC473303
0.9057 High Similarity NPC471245
0.9057 High Similarity NPC145625
0.9038 High Similarity NPC273155
0.9029 High Similarity NPC200957
0.9029 High Similarity NPC138908
0.902 High Similarity NPC122811
0.9 High Similarity NPC474793
0.8942 High Similarity NPC96333
0.8942 High Similarity NPC469746
0.8942 High Similarity NPC88833
0.8932 High Similarity NPC301787
0.8932 High Similarity NPC474558
0.8922 High Similarity NPC475803
0.8922 High Similarity NPC309388
0.8857 High Similarity NPC218123
0.8857 High Similarity NPC112895
0.8857 High Similarity NPC231278
0.8846 High Similarity NPC222833
0.8835 High Similarity NPC96217
0.8824 High Similarity NPC46848
0.8824 High Similarity NPC236585
0.8824 High Similarity NPC148279
0.8824 High Similarity NPC252614
0.8812 High Similarity NPC471038
0.8785 High Similarity NPC329953
0.8774 High Similarity NPC469744
0.8762 High Similarity NPC61071
0.875 High Similarity NPC101842
0.8738 High Similarity NPC275990
0.8727 High Similarity NPC218970
0.8725 High Similarity NPC267921
0.8704 High Similarity NPC205534
0.87 High Similarity NPC470232
0.8692 High Similarity NPC98069
0.8692 High Similarity NPC49730
0.8679 High Similarity NPC469729
0.8679 High Similarity NPC469733
0.8667 High Similarity NPC4115
0.8667 High Similarity NPC103172
0.8667 High Similarity NPC12823
0.8667 High Similarity NPC164600
0.8654 High Similarity NPC87927
0.8641 High Similarity NPC52899
0.8641 High Similarity NPC471790
0.8641 High Similarity NPC163963
0.8641 High Similarity NPC289148
0.8627 High Similarity NPC38471
0.8627 High Similarity NPC98837
0.8627 High Similarity NPC162459
0.8627 High Similarity NPC20479
0.8627 High Similarity NPC89099
0.8627 High Similarity NPC28864
0.8627 High Similarity NPC26270
0.8627 High Similarity NPC38296
0.8624 High Similarity NPC73986
0.8614 High Similarity NPC329910
0.8614 High Similarity NPC200054
0.8614 High Similarity NPC29410
0.86 High Similarity NPC475118
0.86 High Similarity NPC470386
0.86 High Similarity NPC470385
0.8571 High Similarity NPC13149
0.8559 High Similarity NPC470171
0.8558 High Similarity NPC76866
0.8558 High Similarity NPC88203
0.8558 High Similarity NPC214946
0.8558 High Similarity NPC470172
0.8558 High Similarity NPC148628
0.8558 High Similarity NPC246736
0.8558 High Similarity NPC304832
0.8558 High Similarity NPC471254
0.8558 High Similarity NPC286519
0.8544 High Similarity NPC287676
0.8544 High Similarity NPC293866
0.8532 High Similarity NPC207845
0.8532 High Similarity NPC472719
0.8529 High Similarity NPC10864
0.8515 High Similarity NPC98639
0.8515 High Similarity NPC470229
0.8476 Intermediate Similarity NPC473406
0.8476 Intermediate Similarity NPC471253
0.8476 Intermediate Similarity NPC216114
0.8447 Intermediate Similarity NPC16911
0.8447 Intermediate Similarity NPC78427
0.844 Intermediate Similarity NPC274833
0.844 Intermediate Similarity NPC201992
0.844 Intermediate Similarity NPC11035
0.8431 Intermediate Similarity NPC104568
0.8431 Intermediate Similarity NPC470387
0.8431 Intermediate Similarity NPC13949
0.8431 Intermediate Similarity NPC256227
0.8426 Intermediate Similarity NPC8431
0.8416 Intermediate Similarity NPC47853
0.8411 Intermediate Similarity NPC471246
0.8411 Intermediate Similarity NPC201908
0.8411 Intermediate Similarity NPC176949
0.84 Intermediate Similarity NPC250753
0.84 Intermediate Similarity NPC198242
0.84 Intermediate Similarity NPC211403
0.8396 Intermediate Similarity NPC98603
0.8396 Intermediate Similarity NPC84928
0.8365 Intermediate Similarity NPC291785
0.8365 Intermediate Similarity NPC127408
0.8364 Intermediate Similarity NPC470543
0.8364 Intermediate Similarity NPC11252
0.8364 Intermediate Similarity NPC476964
0.8364 Intermediate Similarity NPC289312
0.835 Intermediate Similarity NPC96839
0.8349 Intermediate Similarity NPC100908
0.8333 Intermediate Similarity NPC476961
0.8333 Intermediate Similarity NPC41070
0.8319 Intermediate Similarity NPC297179
0.8319 Intermediate Similarity NPC204552
0.8319 Intermediate Similarity NPC188667
0.8318 Intermediate Similarity NPC285927
0.8317 Intermediate Similarity NPC294263
0.8304 Intermediate Similarity NPC472718
0.8302 Intermediate Similarity NPC159442
0.8288 Intermediate Similarity NPC51978
0.8288 Intermediate Similarity NPC146563
0.8286 Intermediate Similarity NPC39683
0.8273 Intermediate Similarity NPC272242
0.8273 Intermediate Similarity NPC94650
0.8269 Intermediate Similarity NPC469725
0.8261 Intermediate Similarity NPC477046
0.8261 Intermediate Similarity NPC102822
0.8261 Intermediate Similarity NPC470478
0.8257 Intermediate Similarity NPC143706
0.8257 Intermediate Similarity NPC240125
0.8257 Intermediate Similarity NPC51947
0.8257 Intermediate Similarity NPC472534
0.8257 Intermediate Similarity NPC91583
0.8257 Intermediate Similarity NPC473844
0.8246 Intermediate Similarity NPC469488
0.823 Intermediate Similarity NPC474654
0.823 Intermediate Similarity NPC122033
0.823 Intermediate Similarity NPC470854
0.823 Intermediate Similarity NPC287343
0.823 Intermediate Similarity NPC97908
0.8224 Intermediate Similarity NPC96268
0.8224 Intermediate Similarity NPC244247
0.8218 Intermediate Similarity NPC470230

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473410 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
0.8 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7966 Intermediate Similarity NPD8328 Phase 3
0.7863 Intermediate Similarity NPD6319 Approved
0.7807 Intermediate Similarity NPD8133 Approved
0.7768 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD7492 Approved
0.7712 Intermediate Similarity NPD6054 Approved
0.7705 Intermediate Similarity NPD7736 Approved
0.7686 Intermediate Similarity NPD6616 Approved
0.7652 Intermediate Similarity NPD4632 Approved
0.7647 Intermediate Similarity NPD6015 Approved
0.7647 Intermediate Similarity NPD6016 Approved
0.7642 Intermediate Similarity NPD7319 Approved
0.7623 Intermediate Similarity NPD7078 Approved
0.7607 Intermediate Similarity NPD6009 Approved
0.7589 Intermediate Similarity NPD6412 Phase 2
0.7583 Intermediate Similarity NPD5988 Approved
0.7583 Intermediate Similarity NPD6370 Approved
0.7563 Intermediate Similarity NPD6059 Approved
0.7541 Intermediate Similarity NPD7507 Approved
0.7524 Intermediate Similarity NPD8034 Phase 2
0.7524 Intermediate Similarity NPD8035 Phase 2
0.748 Intermediate Similarity NPD8293 Discontinued
0.7458 Intermediate Similarity NPD7115 Discovery
0.7434 Intermediate Similarity NPD5697 Approved
0.7414 Intermediate Similarity NPD6882 Approved
0.7414 Intermediate Similarity NPD8297 Approved
0.7391 Intermediate Similarity NPD4634 Approved
0.7368 Intermediate Similarity NPD6686 Approved
0.7368 Intermediate Similarity NPD6899 Approved
0.7368 Intermediate Similarity NPD6881 Approved
0.7345 Intermediate Similarity NPD6675 Approved
0.7345 Intermediate Similarity NPD6402 Approved
0.7345 Intermediate Similarity NPD7128 Approved
0.7345 Intermediate Similarity NPD5739 Approved
0.7328 Intermediate Similarity NPD6650 Approved
0.7328 Intermediate Similarity NPD6649 Approved
0.7304 Intermediate Similarity NPD6012 Approved
0.7304 Intermediate Similarity NPD6014 Approved
0.7304 Intermediate Similarity NPD6373 Approved
0.7304 Intermediate Similarity NPD6372 Approved
0.7304 Intermediate Similarity NPD6013 Approved
0.7282 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD5701 Approved
0.7257 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7290 Approved
0.7241 Intermediate Similarity NPD7102 Approved
0.7241 Intermediate Similarity NPD6883 Approved
0.7217 Intermediate Similarity NPD6011 Approved
0.7217 Intermediate Similarity NPD7320 Approved
0.7213 Intermediate Similarity NPD6921 Approved
0.7213 Intermediate Similarity NPD5983 Phase 2
0.7193 Intermediate Similarity NPD6008 Approved
0.7179 Intermediate Similarity NPD6869 Approved
0.7179 Intermediate Similarity NPD6847 Approved
0.7179 Intermediate Similarity NPD8130 Phase 1
0.7179 Intermediate Similarity NPD6617 Approved
0.7155 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6399 Phase 3
0.7117 Intermediate Similarity NPD4225 Approved
0.7097 Intermediate Similarity NPD7604 Phase 2
0.7054 Intermediate Similarity NPD5286 Approved
0.7054 Intermediate Similarity NPD5285 Approved
0.7054 Intermediate Similarity NPD4696 Approved
0.7049 Intermediate Similarity NPD7516 Approved
0.7037 Intermediate Similarity NPD6079 Approved
0.7027 Intermediate Similarity NPD7902 Approved
0.7027 Intermediate Similarity NPD4755 Approved
0.7009 Intermediate Similarity NPD5328 Approved
0.7008 Intermediate Similarity NPD6033 Approved
0.6992 Remote Similarity NPD8294 Approved
0.6992 Remote Similarity NPD8377 Approved
0.6984 Remote Similarity NPD6336 Discontinued
0.6967 Remote Similarity NPD7327 Approved
0.6967 Remote Similarity NPD7328 Approved
0.6964 Remote Similarity NPD7638 Approved
0.6949 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6942 Remote Similarity NPD6274 Approved
0.6937 Remote Similarity NPD5222 Approved
0.6937 Remote Similarity NPD4697 Phase 3
0.6937 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5221 Approved
0.6935 Remote Similarity NPD8296 Approved
0.6935 Remote Similarity NPD8378 Approved
0.6935 Remote Similarity NPD8517 Approved
0.6935 Remote Similarity NPD8335 Approved
0.6935 Remote Similarity NPD8515 Approved
0.6935 Remote Similarity NPD8380 Approved
0.6935 Remote Similarity NPD8516 Approved
0.6935 Remote Similarity NPD8033 Approved
0.6935 Remote Similarity NPD8379 Approved
0.6935 Remote Similarity NPD8513 Phase 3
0.693 Remote Similarity NPD5226 Approved
0.693 Remote Similarity NPD5225 Approved
0.693 Remote Similarity NPD4633 Approved
0.693 Remote Similarity NPD5224 Approved
0.693 Remote Similarity NPD5211 Phase 2
0.6909 Remote Similarity NPD7748 Approved
0.6903 Remote Similarity NPD4700 Approved
0.6903 Remote Similarity NPD7640 Approved
0.6903 Remote Similarity NPD7639 Approved
0.6891 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6887 Remote Similarity NPD3618 Phase 1
0.6881 Remote Similarity NPD7515 Phase 2
0.6875 Remote Similarity NPD5173 Approved
0.687 Remote Similarity NPD5174 Approved
0.687 Remote Similarity NPD5175 Approved
0.6842 Remote Similarity NPD5223 Approved
0.6822 Remote Similarity NPD3573 Approved
0.681 Remote Similarity NPD5141 Approved
0.68 Remote Similarity NPD7503 Approved
0.6774 Remote Similarity NPD7101 Approved
0.6774 Remote Similarity NPD7100 Approved
0.6765 Remote Similarity NPD6697 Approved
0.6765 Remote Similarity NPD6118 Approved
0.6765 Remote Similarity NPD6114 Approved
0.6765 Remote Similarity NPD6115 Approved
0.6757 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7900 Approved
0.6748 Remote Similarity NPD6317 Approved
0.6727 Remote Similarity NPD6411 Approved
0.6726 Remote Similarity NPD6084 Phase 2
0.6726 Remote Similarity NPD6083 Phase 2
0.6696 Remote Similarity NPD1700 Approved
0.6695 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6694 Remote Similarity NPD6335 Approved
0.6694 Remote Similarity NPD6313 Approved
0.6694 Remote Similarity NPD6314 Approved
0.6667 Remote Similarity NPD4202 Approved
0.6667 Remote Similarity NPD6868 Approved
0.6667 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6116 Phase 1
0.6667 Remote Similarity NPD5696 Approved
0.6639 Remote Similarity NPD5128 Approved
0.6639 Remote Similarity NPD4729 Approved
0.6639 Remote Similarity NPD4730 Approved
0.6634 Remote Similarity NPD3703 Phase 2
0.661 Remote Similarity NPD4767 Approved
0.661 Remote Similarity NPD4768 Approved
0.6604 Remote Similarity NPD4788 Approved
0.6581 Remote Similarity NPD4754 Approved
0.6574 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6569 Remote Similarity NPD6117 Approved
0.6562 Remote Similarity NPD6067 Discontinued
0.6549 Remote Similarity NPD5695 Phase 3
0.6545 Remote Similarity NPD6101 Approved
0.6545 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6542 Remote Similarity NPD4786 Approved
0.6538 Remote Similarity NPD8074 Phase 3
0.6535 Remote Similarity NPD6909 Approved
0.6535 Remote Similarity NPD6908 Approved
0.6529 Remote Similarity NPD5247 Approved
0.6529 Remote Similarity NPD5249 Phase 3
0.6529 Remote Similarity NPD6371 Approved
0.6529 Remote Similarity NPD5248 Approved
0.6529 Remote Similarity NPD5250 Approved
0.6529 Remote Similarity NPD5251 Approved
0.6515 Remote Similarity NPD5956 Approved
0.6509 Remote Similarity NPD3667 Approved
0.6496 Remote Similarity NPD7632 Discontinued
0.6475 Remote Similarity NPD5217 Approved
0.6475 Remote Similarity NPD5215 Approved
0.6475 Remote Similarity NPD5216 Approved
0.6455 Remote Similarity NPD5737 Approved
0.6455 Remote Similarity NPD6672 Approved
0.6455 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6423 Remote Similarity NPD6334 Approved
0.6423 Remote Similarity NPD6333 Approved
0.6422 Remote Similarity NPD6684 Approved
0.6422 Remote Similarity NPD6409 Approved
0.6422 Remote Similarity NPD7521 Approved
0.6422 Remote Similarity NPD5330 Approved
0.6422 Remote Similarity NPD7334 Approved
0.6422 Remote Similarity NPD7146 Approved
0.6415 Remote Similarity NPD1779 Approved
0.6415 Remote Similarity NPD1780 Approved
0.6404 Remote Similarity NPD5210 Approved
0.6404 Remote Similarity NPD4629 Approved
0.6404 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6404 Remote Similarity NPD1698 Clinical (unspecified phase)
0.64 Remote Similarity NPD6940 Discontinued
0.6396 Remote Similarity NPD4753 Phase 2
0.6393 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6393 Remote Similarity NPD5169 Approved
0.6393 Remote Similarity NPD5135 Approved
0.6389 Remote Similarity NPD3665 Phase 1
0.6389 Remote Similarity NPD3666 Approved
0.6389 Remote Similarity NPD3133 Approved
0.6373 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6372 Remote Similarity NPD8171 Discontinued
0.6372 Remote Similarity NPD5779 Approved
0.6372 Remote Similarity NPD5778 Approved
0.6364 Remote Similarity NPD5168 Approved
0.6341 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6341 Remote Similarity NPD5127 Approved
0.6316 Remote Similarity NPD5282 Discontinued
0.6311 Remote Similarity NPD3702 Approved
0.6306 Remote Similarity NPD6903 Approved
0.6296 Remote Similarity NPD3669 Approved

Structure

External Identifiers

PubChem CID   44445754
ChEMBL   CHEMBL415377
ZINC  

Physicochemical Properties

Molecular Weight:  406.20
ALogP:  -1.8542
MLogP:  3.11
XLogP:  0.675
# Rotatable Bonds:  8
Polar Surface Area:  113.29
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  29

Download Data

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