Natural Product: NPC12823

Natural Product ID:  NPC12823
Common Name:   Kamebacetal A
IUPAC Name:  
Synonyms:   Kamebacetal A
Molecular Formula:   C21H30O5
Standard InCHIKey:  HZXIWBLGRBHNQF-WWXNXQHNSA-N
Standard InCHI:  InChI=1S/C21H30O5/c1-10-11-5-6-12-20-13(19(2,3)8-7-14(20)22)9-15(26-18(20)25-4)21(12,16(10)23)17(11)24/h11-15,17-18,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15-,17+,18?,20+,21-/m0/s1
Canonical SMILES:  COC1O[C@H]2C[C@H]3[C@@]1([C@@H](O)CCC3(C)C)[C@H]1[C@@]32[C@H](O)[C@@H](CC1)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
NPO1927 Isodon eriocalyx Species Lamiaceae Eukaryota Aerial parts PMID[20949916]
NPO25359 Isodon kameba Species Lamiaceae Eukaryota TCMID*
NPO15475.1 Isodon umbrosa var. latifolia Varieties Lamiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens IC50 = 9800 nM 20949916
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 10000 nM 20949916
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 4700 nM 20949916

  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 NPC12823 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
0.9798 High Similarity NPC469729
0.9798 High Similarity NPC469733
0.9691 High Similarity NPC475803
0.9691 High Similarity NPC309388
0.9596 High Similarity NPC4115
0.951 High Similarity NPC329953
0.951 High Similarity NPC122339
0.9505 High Similarity NPC469744
0.95 High Similarity NPC469746
0.9417 High Similarity NPC473303
0.9417 High Similarity NPC471245
0.9412 High Similarity NPC473324
0.932 High Similarity NPC63244
0.93 High Similarity NPC202793
0.9231 High Similarity NPC471244
0.9231 High Similarity NPC145625
0.9223 High Similarity NPC471476
0.9216 High Similarity NPC55973
0.92 High Similarity NPC139347
0.9192 High Similarity NPC471790
0.9192 High Similarity NPC14634
0.9143 High Similarity NPC94141
0.9118 High Similarity NPC67745
0.9118 High Similarity NPC471461
0.9109 High Similarity NPC13149
0.9065 High Similarity NPC473304
0.9057 High Similarity NPC17165
0.9048 High Similarity NPC157929
0.9038 High Similarity NPC471093
0.9029 High Similarity NPC189663
0.9029 High Similarity NPC232133
0.9029 High Similarity NPC89860
0.9 High Similarity NPC289148
0.9 High Similarity NPC163963
0.9 High Similarity NPC52899
0.8972 High Similarity NPC88945
0.8972 High Similarity NPC229752
0.8962 High Similarity NPC471248
0.8962 High Similarity NPC132668
0.8952 High Similarity NPC29505
0.8942 High Similarity NPC252679
0.8942 High Similarity NPC118721
0.8942 High Similarity NPC469983
0.8932 High Similarity NPC88833
0.8932 High Similarity NPC96333
0.8922 High Similarity NPC474558
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
0.89 High Similarity NPC287676
0.8889 High Similarity NPC78836
0.8866 High Similarity NPC144739
0.8866 High Similarity NPC181594
0.8857 High Similarity NPC98069
0.8857 High Similarity NPC49730
0.8846 High Similarity NPC63841
0.8835 High Similarity NPC103172
0.8835 High Similarity NPC130511
0.8835 High Similarity NPC164600
0.8835 High Similarity NPC307660
0.8824 High Similarity NPC87927
0.8824 High Similarity NPC216114
0.88 High Similarity NPC78427
0.88 High Similarity NPC16911
0.8788 High Similarity NPC13949
0.8785 High Similarity NPC471252
0.8776 High Similarity NPC261333
0.8776 High Similarity NPC215271
0.8776 High Similarity NPC289539
0.8776 High Similarity NPC91772
0.8776 High Similarity NPC129004
0.8776 High Similarity NPC292374
0.8776 High Similarity NPC101233
0.8776 High Similarity NPC111524
0.8776 High Similarity NPC153775
0.8776 High Similarity NPC29247
0.8776 High Similarity NPC104371
0.8774 High Similarity NPC213320
0.8763 High Similarity NPC476168
0.8763 High Similarity NPC299185
0.8762 High Similarity NPC102741
0.875 High Similarity NPC61071
0.875 High Similarity NPC186054
0.8738 High Similarity NPC101842
0.8738 High Similarity NPC98603
0.8738 High Similarity NPC84928
0.8692 High Similarity NPC473397
0.8692 High Similarity NPC474927
0.8692 High Similarity NPC473352
0.8687 High Similarity NPC138245
0.8687 High Similarity NPC470232
0.8687 High Similarity NPC231060
0.8687 High Similarity NPC84018
0.8667 High Similarity NPC471094
0.8667 High Similarity NPC473410
0.8667 High Similarity NPC469984
0.866 High Similarity NPC80401
0.866 High Similarity NPC470378
0.866 High Similarity NPC180849
0.866 High Similarity NPC149761
0.866 High Similarity NPC261994
0.8627 High Similarity NPC46848
0.8614 High Similarity NPC471038
0.8614 High Similarity NPC474793
0.86 High Similarity NPC329910
0.86 High Similarity NPC140242
0.86 High Similarity NPC135548
0.86 High Similarity NPC264979
0.8598 High Similarity NPC471243
0.8586 High Similarity NPC470385
0.8586 High Similarity NPC470386
0.8586 High Similarity NPC475118
0.8586 High Similarity NPC191094
0.8586 High Similarity NPC302008
0.8585 High Similarity NPC8431
0.8571 High Similarity NPC471474
0.8544 High Similarity NPC275990
0.8532 High Similarity NPC243354
0.8505 High Similarity NPC474786
0.8505 High Similarity NPC130302
0.8505 High Similarity NPC320383
0.8505 High Similarity NPC85391
0.8505 High Similarity NPC98633
0.8505 High Similarity NPC137104
0.85 High Similarity NPC470229
0.85 High Similarity NPC210214
0.8491 Intermediate Similarity NPC218123
0.8491 Intermediate Similarity NPC112895
0.8491 Intermediate Similarity NPC231278
0.8485 Intermediate Similarity NPC59350
0.8485 Intermediate Similarity NPC59170
0.8476 Intermediate Similarity NPC285927
0.8476 Intermediate Similarity NPC56656
0.8462 Intermediate Similarity NPC96217
0.8447 Intermediate Similarity NPC148279
0.8447 Intermediate Similarity NPC236585
0.844 Intermediate Similarity NPC73986
0.8431 Intermediate Similarity NPC38471
0.8431 Intermediate Similarity NPC20479
0.8431 Intermediate Similarity NPC98837
0.8431 Intermediate Similarity NPC38296
0.8431 Intermediate Similarity NPC162459
0.8431 Intermediate Similarity NPC28864
0.8431 Intermediate Similarity NPC89099
0.8426 Intermediate Similarity NPC471251
0.8426 Intermediate Similarity NPC270586
0.8426 Intermediate Similarity NPC274833
0.8416 Intermediate Similarity NPC29410
0.8416 Intermediate Similarity NPC200054
0.8416 Intermediate Similarity NPC470387
0.8411 Intermediate Similarity NPC471250
0.8411 Intermediate Similarity NPC274827
0.8411 Intermediate Similarity NPC131903
0.84 Intermediate Similarity NPC64006
0.84 Intermediate Similarity NPC47853
0.8384 Intermediate Similarity NPC250753
0.8384 Intermediate Similarity NPC211403
0.8384 Intermediate Similarity NPC198242
0.8381 Intermediate Similarity NPC244247
0.8351 Intermediate Similarity NPC174619
0.8351 Intermediate Similarity NPC259009
0.8351 Intermediate Similarity NPC153604
0.8351 Intermediate Similarity NPC165895
0.835 Intermediate Similarity NPC267921
0.835 Intermediate Similarity NPC470388
0.835 Intermediate Similarity NPC127408
0.835 Intermediate Similarity NPC291785
0.835 Intermediate Similarity NPC55503
0.835 Intermediate Similarity NPC293866
0.835 Intermediate Similarity NPC156324
0.8349 Intermediate Similarity NPC472719
0.8349 Intermediate Similarity NPC207845
0.8333 Intermediate Similarity NPC124053
0.8333 Intermediate Similarity NPC255655
0.8333 Intermediate Similarity NPC10864
0.8318 Intermediate Similarity NPC273155
0.8317 Intermediate Similarity NPC29112
0.8317 Intermediate Similarity NPC98639
0.8302 Intermediate Similarity NPC200957
0.8302 Intermediate Similarity NPC138908
0.8302 Intermediate Similarity NPC37600
0.83 Intermediate Similarity NPC294263
0.8286 Intermediate Similarity NPC277074
0.8286 Intermediate Similarity NPC159442
0.8286 Intermediate Similarity NPC470310
0.8286 Intermediate Similarity NPC266
0.8286 Intermediate Similarity NPC209298
0.8286 Intermediate Similarity NPC122811
0.8273 Intermediate Similarity NPC194273
0.8273 Intermediate Similarity NPC285086
0.8257 Intermediate Similarity NPC56025
0.8252 Intermediate Similarity NPC288
0.8252 Intermediate Similarity NPC26270
0.8252 Intermediate Similarity NPC109059
0.8224 Intermediate Similarity NPC166993
0.8224 Intermediate Similarity NPC201908

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC12823 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
0.7863 Intermediate Similarity NPD6370 Approved
0.7833 Intermediate Similarity NPD7736 Approved
0.7727 Intermediate Similarity NPD6412 Phase 2
0.7692 Intermediate Similarity NPD6054 Approved
0.7647 Intermediate Similarity NPD8328 Phase 3
0.7627 Intermediate Similarity NPD6016 Approved
0.7627 Intermediate Similarity NPD6015 Approved
0.7623 Intermediate Similarity NPD7319 Approved
0.7586 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7563 Intermediate Similarity NPD5988 Approved
0.7542 Intermediate Similarity NPD6059 Approved
0.7521 Intermediate Similarity NPD7507 Approved
0.7478 Intermediate Similarity NPD8133 Approved
0.7459 Intermediate Similarity NPD8293 Discontinued
0.7438 Intermediate Similarity NPD7492 Approved
0.7391 Intermediate Similarity NPD6882 Approved
0.7387 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD6616 Approved
0.7333 Intermediate Similarity NPD8035 Phase 2
0.7333 Intermediate Similarity NPD8034 Phase 2
0.7317 Intermediate Similarity NPD7078 Approved
0.7288 Intermediate Similarity NPD6009 Approved
0.7281 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD5697 Approved
0.7255 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD6319 Approved
0.7217 Intermediate Similarity NPD4634 Approved
0.7193 Intermediate Similarity NPD6899 Approved
0.7193 Intermediate Similarity NPD6881 Approved
0.7182 Intermediate Similarity NPD5285 Approved
0.7182 Intermediate Similarity NPD4696 Approved
0.7182 Intermediate Similarity NPD5286 Approved
0.717 Intermediate Similarity NPD6079 Approved
0.7168 Intermediate Similarity NPD5739 Approved
0.7168 Intermediate Similarity NPD6402 Approved
0.7168 Intermediate Similarity NPD6008 Approved
0.7168 Intermediate Similarity NPD7128 Approved
0.7168 Intermediate Similarity NPD6675 Approved
0.7156 Intermediate Similarity NPD4755 Approved
0.7155 Intermediate Similarity NPD6650 Approved
0.7155 Intermediate Similarity NPD6649 Approved
0.7143 Intermediate Similarity NPD5328 Approved
0.713 Intermediate Similarity NPD6372 Approved
0.713 Intermediate Similarity NPD6013 Approved
0.713 Intermediate Similarity NPD6014 Approved
0.713 Intermediate Similarity NPD6012 Approved
0.713 Intermediate Similarity NPD6373 Approved
0.7105 Intermediate Similarity NPD5701 Approved
0.7069 Intermediate Similarity NPD7102 Approved
0.7069 Intermediate Similarity NPD7290 Approved
0.7069 Intermediate Similarity NPD6883 Approved
0.7064 Intermediate Similarity NPD5221 Approved
0.7064 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5222 Approved
0.7064 Intermediate Similarity NPD4697 Phase 3
0.7059 Intermediate Similarity NPD4788 Approved
0.7054 Intermediate Similarity NPD4633 Approved
0.7054 Intermediate Similarity NPD5224 Approved
0.7054 Intermediate Similarity NPD5225 Approved
0.7054 Intermediate Similarity NPD5226 Approved
0.7054 Intermediate Similarity NPD5211 Phase 2
0.7043 Intermediate Similarity NPD6011 Approved
0.7043 Intermediate Similarity NPD6686 Approved
0.7043 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD7320 Approved
0.7034 Intermediate Similarity NPD4632 Approved
0.7027 Intermediate Similarity NPD4700 Approved
0.7019 Intermediate Similarity NPD3618 Phase 1
0.7009 Intermediate Similarity NPD6847 Approved
0.7009 Intermediate Similarity NPD8130 Phase 1
0.7009 Intermediate Similarity NPD6617 Approved
0.7009 Intermediate Similarity NPD6869 Approved
0.7 Intermediate Similarity NPD7115 Discovery
0.7 Intermediate Similarity NPD5173 Approved
0.6991 Remote Similarity NPD5175 Approved
0.6991 Remote Similarity NPD5174 Approved
0.6984 Remote Similarity NPD6033 Approved
0.6964 Remote Similarity NPD5223 Approved
0.6949 Remote Similarity NPD8297 Approved
0.6944 Remote Similarity NPD6399 Phase 3
0.6942 Remote Similarity NPD7328 Approved
0.6942 Remote Similarity NPD7327 Approved
0.6939 Remote Similarity NPD3703 Phase 2
0.6937 Remote Similarity NPD7638 Approved
0.693 Remote Similarity NPD5141 Approved
0.6911 Remote Similarity NPD8033 Approved
0.6885 Remote Similarity NPD7516 Approved
0.6881 Remote Similarity NPD7748 Approved
0.6875 Remote Similarity NPD7639 Approved
0.6875 Remote Similarity NPD7640 Approved
0.6857 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7515 Phase 2
0.6847 Remote Similarity NPD7902 Approved
0.6829 Remote Similarity NPD8294 Approved
0.6829 Remote Similarity NPD8377 Approved
0.6827 Remote Similarity NPD4786 Approved
0.68 Remote Similarity NPD6067 Discontinued
0.6796 Remote Similarity NPD3667 Approved
0.6789 Remote Similarity NPD4202 Approved
0.6777 Remote Similarity NPD6274 Approved
0.6774 Remote Similarity NPD8380 Approved
0.6774 Remote Similarity NPD8296 Approved
0.6774 Remote Similarity NPD8379 Approved
0.6774 Remote Similarity NPD8335 Approved
0.6774 Remote Similarity NPD8378 Approved
0.6774 Remote Similarity NPD5983 Phase 2
0.6752 Remote Similarity NPD4730 Approved
0.6752 Remote Similarity NPD5128 Approved
0.6752 Remote Similarity NPD4729 Approved
0.6733 Remote Similarity NPD6115 Approved
0.6733 Remote Similarity NPD6697 Approved
0.6733 Remote Similarity NPD6114 Approved
0.6733 Remote Similarity NPD6118 Approved
0.6724 Remote Similarity NPD4768 Approved
0.6724 Remote Similarity NPD4767 Approved
0.6723 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6697 Remote Similarity NPD6411 Approved
0.6696 Remote Similarity NPD4754 Approved
0.6696 Remote Similarity NPD6084 Phase 2
0.6696 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6667 Remote Similarity NPD3133 Approved
0.6667 Remote Similarity NPD3666 Approved
0.6667 Remote Similarity NPD3665 Phase 1
0.664 Remote Similarity NPD8513 Phase 3
0.664 Remote Similarity NPD8516 Approved
0.664 Remote Similarity NPD8517 Approved
0.664 Remote Similarity NPD8515 Approved
0.664 Remote Similarity NPD7503 Approved
0.6639 Remote Similarity NPD5248 Approved
0.6639 Remote Similarity NPD5247 Approved
0.6639 Remote Similarity NPD5250 Approved
0.6639 Remote Similarity NPD5251 Approved
0.6639 Remote Similarity NPD5249 Phase 3
0.6637 Remote Similarity NPD5696 Approved
0.6637 Remote Similarity NPD4225 Approved
0.6636 Remote Similarity NPD3573 Approved
0.6613 Remote Similarity NPD7100 Approved
0.6613 Remote Similarity NPD7101 Approved
0.6602 Remote Similarity NPD6928 Phase 2
0.6585 Remote Similarity NPD6317 Approved
0.6583 Remote Similarity NPD5215 Approved
0.6583 Remote Similarity NPD5217 Approved
0.6583 Remote Similarity NPD5216 Approved
0.6577 Remote Similarity NPD7900 Approved
0.6577 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6574 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6336 Discontinued
0.6535 Remote Similarity NPD6117 Approved
0.6532 Remote Similarity NPD6335 Approved
0.6532 Remote Similarity NPD6314 Approved
0.6532 Remote Similarity NPD6313 Approved
0.6518 Remote Similarity NPD5695 Phase 3
0.6514 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6101 Approved
0.6508 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6504 Remote Similarity NPD6868 Approved
0.65 Remote Similarity NPD5134 Clinical (unspecified phase)
0.65 Remote Similarity NPD5135 Approved
0.65 Remote Similarity NPD5169 Approved
0.6489 Remote Similarity NPD5956 Approved
0.6486 Remote Similarity NPD8171 Discontinued
0.6471 Remote Similarity NPD5168 Approved
0.6471 Remote Similarity NPD6116 Phase 1
0.6466 Remote Similarity NPD7632 Discontinued
0.6465 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6465 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6446 Remote Similarity NPD5127 Approved
0.6429 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5282 Discontinued
0.6429 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6389 Remote Similarity NPD7146 Approved
0.6389 Remote Similarity NPD7521 Approved
0.6389 Remote Similarity NPD6409 Approved
0.6389 Remote Similarity NPD6684 Approved
0.6389 Remote Similarity NPD7334 Approved
0.6389 Remote Similarity NPD5330 Approved
0.6378 Remote Similarity NPD6908 Approved
0.6378 Remote Similarity NPD6921 Approved
0.6378 Remote Similarity NPD6909 Approved
0.6372 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6355 Remote Similarity NPD3668 Phase 3
0.6339 Remote Similarity NPD5779 Approved
0.6339 Remote Similarity NPD5778 Approved
0.6337 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6321 Remote Similarity NPD4221 Approved
0.6321 Remote Similarity NPD4223 Phase 3
0.629 Remote Similarity NPD5167 Approved
0.6286 Remote Similarity NPD7525 Registered
0.6281 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6334 Approved
0.6277 Remote Similarity NPD6333 Approved
0.6275 Remote Similarity NPD3702 Approved
0.6273 Remote Similarity NPD6672 Approved
0.6273 Remote Similarity NPD5737 Approved
0.6273 Remote Similarity NPD6903 Approved
0.6263 Remote Similarity NPD3698 Phase 2

Structure

External Identifiers

PubChem CID   53322744
ChEMBL   CHEMBL1641883
ZINC  

Physicochemical Properties

Molecular Weight:  362.21
ALogP:  -0.7495
MLogP:  3.22
XLogP:  1.622
# Rotatable Bonds:  6
Polar Surface Area:  75.99
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  26

Download Data

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