Natural Product: NPC470170

Natural Product ID:  NPC470170
Common Name:   Isoadenolin G
IUPAC Name:  
Synonyms:   Isoadenolin G
Molecular Formula:   C23H34O8
Standard InCHIKey:  ZXTOBFVGAFEONZ-OZSUYHPESA-N
Standard InCHI:  InChI=1S/C23H34O8/c1-10-12-9-13(30-11(2)24)14-21-8-6-7-20(3,4)15(21)18(27)23(28,31-19(21)29-5)22(14,16(10)25)17(12)26/h12-19,25-28H,1,6-9H2,2-5H3/t12-,13-,14-,15+,16+,17+,18-,19-,21-,22-,23+/m0/s1
Canonical SMILES:  CO[C@H]1O[C@]2(O)[C@H]([C@H]3[C@]1(CCCC3(C)C)[C@H]1[C@@]32[C@H](O)[C@@H](C[C@@H]1OC(=O)C)C(=C)[C@H]3O)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
NPO18055 Isodon adenolomus Species Lamiaceae Eukaryota Aerial parts Shangrila, Yunnan Province, China 2008-AUG PMID[21534539]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 19604701
NPT660 Cell Line SW480 Homo sapiens IC50 > 10000 nM 19604701
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 10000 nM 19604701
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 19604701
NPT116 Cell Line HL-60 Homo sapiens IC50 > 10000 nM 19604701

  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 NPC470170 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 NPC470169
0.9694 High Similarity NPC471467
0.96 High Similarity NPC470166
0.9592 High Similarity NPC31085
0.9388 High Similarity NPC471247
0.9293 High Similarity NPC144486
0.9293 High Similarity NPC470168
0.92 High Similarity NPC177701
0.9118 High Similarity NPC165405
0.9091 High Similarity NPC469725
0.9 High Similarity NPC91497
0.898 High Similarity NPC30477
0.8889 High Similarity NPC111834
0.8889 High Similarity NPC306797
0.8889 High Similarity NPC169270
0.8889 High Similarity NPC292718
0.8857 High Similarity NPC473570
0.8812 High Similarity NPC317019
0.88 High Similarity NPC76486
0.8788 High Similarity NPC241047
0.8788 High Similarity NPC473348
0.8725 High Similarity NPC31346
0.8713 High Similarity NPC157739
0.8704 High Similarity NPC144068
0.8692 High Similarity NPC114188
0.8654 High Similarity NPC475521
0.8614 High Similarity NPC471770
0.8614 High Similarity NPC278939
0.8614 High Similarity NPC274793
0.8614 High Similarity NPC473555
0.8586 High Similarity NPC296620
0.8586 High Similarity NPC26046
0.8585 High Similarity NPC473517
0.8571 High Similarity NPC473199
0.8558 High Similarity NPC473198
0.8515 High Similarity NPC472989
0.8505 High Similarity NPC43976
0.8505 High Similarity NPC296761
0.8505 High Similarity NPC154085
0.8505 High Similarity NPC240125
0.8505 High Similarity NPC125361
0.8505 High Similarity NPC51925
0.8505 High Similarity NPC91583
0.8491 Intermediate Similarity NPC234160
0.8482 Intermediate Similarity NPC304260
0.8482 Intermediate Similarity NPC29639
0.8482 Intermediate Similarity NPC5883
0.8482 Intermediate Similarity NPC44899
0.8476 Intermediate Similarity NPC152966
0.8468 Intermediate Similarity NPC473304
0.8468 Intermediate Similarity NPC152615
0.844 Intermediate Similarity NPC243572
0.8411 Intermediate Similarity NPC472988
0.8411 Intermediate Similarity NPC38217
0.8411 Intermediate Similarity NPC88744
0.8411 Intermediate Similarity NPC295980
0.8407 Intermediate Similarity NPC473566
0.8407 Intermediate Similarity NPC475358
0.8396 Intermediate Similarity NPC472899
0.8396 Intermediate Similarity NPC472900
0.8396 Intermediate Similarity NPC472898
0.8393 Intermediate Similarity NPC472080
0.8393 Intermediate Similarity NPC83287
0.8384 Intermediate Similarity NPC123252
0.8384 Intermediate Similarity NPC194485
0.8384 Intermediate Similarity NPC53890
0.8384 Intermediate Similarity NPC219937
0.8378 Intermediate Similarity NPC99620
0.8378 Intermediate Similarity NPC5311
0.8378 Intermediate Similarity NPC310341
0.8378 Intermediate Similarity NPC193382
0.8378 Intermediate Similarity NPC199428
0.8367 Intermediate Similarity NPC160304
0.8365 Intermediate Similarity NPC49532
0.8364 Intermediate Similarity NPC102619
0.835 Intermediate Similarity NPC477928
0.8349 Intermediate Similarity NPC56025
0.8349 Intermediate Similarity NPC65167
0.8333 Intermediate Similarity NPC474573
0.8333 Intermediate Similarity NPC51947
0.8333 Intermediate Similarity NPC473844
0.8333 Intermediate Similarity NPC475219
0.8333 Intermediate Similarity NPC40749
0.8333 Intermediate Similarity NPC231518
0.8319 Intermediate Similarity NPC329905
0.8318 Intermediate Similarity NPC54619
0.8318 Intermediate Similarity NPC473469
0.8317 Intermediate Similarity NPC3359
0.8304 Intermediate Similarity NPC158344
0.8304 Intermediate Similarity NPC99728
0.8304 Intermediate Similarity NPC203862
0.8304 Intermediate Similarity NPC50305
0.8304 Intermediate Similarity NPC77319
0.8304 Intermediate Similarity NPC244402
0.8304 Intermediate Similarity NPC157376
0.8304 Intermediate Similarity NPC471355
0.8304 Intermediate Similarity NPC87250
0.8304 Intermediate Similarity NPC243196
0.8304 Intermediate Similarity NPC471354
0.8304 Intermediate Similarity NPC473852
0.8304 Intermediate Similarity NPC196429
0.8304 Intermediate Similarity NPC471353
0.8304 Intermediate Similarity NPC27507
0.8304 Intermediate Similarity NPC471351
0.8304 Intermediate Similarity NPC474418
0.8304 Intermediate Similarity NPC309034
0.8304 Intermediate Similarity NPC34390
0.8304 Intermediate Similarity NPC142066
0.8304 Intermediate Similarity NPC84987
0.8304 Intermediate Similarity NPC93883
0.8302 Intermediate Similarity NPC75608
0.8302 Intermediate Similarity NPC312774
0.8302 Intermediate Similarity NPC470768
0.8288 Intermediate Similarity NPC69576
0.8288 Intermediate Similarity NPC31354
0.8288 Intermediate Similarity NPC469821
0.8288 Intermediate Similarity NPC471633
0.8288 Intermediate Similarity NPC84949
0.8286 Intermediate Similarity NPC68630
0.8286 Intermediate Similarity NPC94919
0.8286 Intermediate Similarity NPC228049
0.8286 Intermediate Similarity NPC52585
0.8286 Intermediate Similarity NPC154452
0.8286 Intermediate Similarity NPC136816
0.8269 Intermediate Similarity NPC473200
0.8269 Intermediate Similarity NPC471242
0.8269 Intermediate Similarity NPC7341
0.8261 Intermediate Similarity NPC115349
0.8261 Intermediate Similarity NPC193893
0.8246 Intermediate Similarity NPC474466
0.8246 Intermediate Similarity NPC475136
0.8241 Intermediate Similarity NPC475634
0.8241 Intermediate Similarity NPC476513
0.8241 Intermediate Similarity NPC7213
0.823 Intermediate Similarity NPC160888
0.823 Intermediate Similarity NPC475403
0.8224 Intermediate Similarity NPC470763
0.8224 Intermediate Similarity NPC242748
0.8224 Intermediate Similarity NPC470055
0.8224 Intermediate Similarity NPC470767
0.8224 Intermediate Similarity NPC470056
0.8214 Intermediate Similarity NPC469823
0.8214 Intermediate Similarity NPC88945
0.8214 Intermediate Similarity NPC146652
0.8214 Intermediate Similarity NPC469820
0.8208 Intermediate Similarity NPC16573
0.8198 Intermediate Similarity NPC471252
0.819 Intermediate Similarity NPC121072
0.819 Intermediate Similarity NPC472023
0.819 Intermediate Similarity NPC155974
0.819 Intermediate Similarity NPC309425
0.819 Intermediate Similarity NPC160734
0.819 Intermediate Similarity NPC88000
0.819 Intermediate Similarity NPC4831
0.819 Intermediate Similarity NPC21064
0.819 Intermediate Similarity NPC47566
0.819 Intermediate Similarity NPC129372
0.8182 Intermediate Similarity NPC91838
0.8182 Intermediate Similarity NPC470748
0.8182 Intermediate Similarity NPC250481
0.8182 Intermediate Similarity NPC275668
0.8182 Intermediate Similarity NPC240734
0.8182 Intermediate Similarity NPC263827
0.8182 Intermediate Similarity NPC285410
0.8182 Intermediate Similarity NPC272242
0.8182 Intermediate Similarity NPC1876
0.8182 Intermediate Similarity NPC11035
0.8182 Intermediate Similarity NPC204392
0.8173 Intermediate Similarity NPC234287
0.8173 Intermediate Similarity NPC280825
0.8165 Intermediate Similarity NPC151134
0.8158 Intermediate Similarity NPC292467
0.8158 Intermediate Similarity NPC473633
0.8158 Intermediate Similarity NPC476085
0.8158 Intermediate Similarity NPC55532
0.8158 Intermediate Similarity NPC469756
0.8158 Intermediate Similarity NPC291820
0.8158 Intermediate Similarity NPC470897
0.8158 Intermediate Similarity NPC30483
0.8158 Intermediate Similarity NPC236973
0.8158 Intermediate Similarity NPC81222
0.8158 Intermediate Similarity NPC32177
0.8155 Intermediate Similarity NPC296936
0.8148 Intermediate Similarity NPC231340
0.8142 Intermediate Similarity NPC290693
0.8142 Intermediate Similarity NPC156651
0.8137 Intermediate Similarity NPC211238
0.8131 Intermediate Similarity NPC173583
0.8131 Intermediate Similarity NPC273879
0.8131 Intermediate Similarity NPC165033
0.8131 Intermediate Similarity NPC476360
0.8131 Intermediate Similarity NPC475365
0.8131 Intermediate Similarity NPC476361
0.8125 Intermediate Similarity NPC472274
0.8119 Intermediate Similarity NPC219516
0.8119 Intermediate Similarity NPC469738
0.8119 Intermediate Similarity NPC130840
0.8119 Intermediate Similarity NPC48463
0.8113 Intermediate Similarity NPC312553
0.8113 Intermediate Similarity NPC159036

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470170 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
0.8482 Intermediate Similarity NPD7516 Approved
0.8393 Intermediate Similarity NPD7328 Approved
0.8393 Intermediate Similarity NPD7327 Approved
0.8333 Intermediate Similarity NPD8033 Approved
0.8198 Intermediate Similarity NPD8133 Approved
0.8087 Intermediate Similarity NPD8377 Approved
0.8087 Intermediate Similarity NPD8294 Approved
0.8017 Intermediate Similarity NPD8296 Approved
0.8017 Intermediate Similarity NPD8335 Approved
0.8017 Intermediate Similarity NPD8380 Approved
0.8017 Intermediate Similarity NPD8378 Approved
0.8017 Intermediate Similarity NPD8379 Approved
0.775 Intermediate Similarity NPD7507 Approved
0.7712 Intermediate Similarity NPD7503 Approved
0.7561 Intermediate Similarity NPD7319 Approved
0.7524 Intermediate Similarity NPD8171 Discontinued
0.7522 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6412 Phase 2
0.7281 Intermediate Similarity NPD6686 Approved
0.7227 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7639 Approved
0.7117 Intermediate Similarity NPD7640 Approved
0.7063 Intermediate Similarity NPD7736 Approved
0.703 Intermediate Similarity NPD6928 Phase 2
0.7027 Intermediate Similarity NPD7638 Approved
0.7016 Intermediate Similarity NPD8328 Phase 3
0.6944 Remote Similarity NPD8034 Phase 2
0.6944 Remote Similarity NPD8035 Phase 2
0.6857 Remote Similarity NPD7520 Clinical (unspecified phase)
0.685 Remote Similarity NPD8293 Discontinued
0.6838 Remote Similarity NPD5345 Clinical (unspecified phase)
0.68 Remote Similarity NPD6370 Approved
0.675 Remote Similarity NPD6882 Approved
0.6729 Remote Similarity NPD7524 Approved
0.6696 Remote Similarity NPD7632 Discontinued
0.6693 Remote Similarity NPD7492 Approved
0.6691 Remote Similarity NPD7625 Phase 1
0.6667 Remote Similarity NPD6009 Approved
0.6641 Remote Similarity NPD6616 Approved
0.664 Remote Similarity NPD6059 Approved
0.664 Remote Similarity NPD6319 Approved
0.664 Remote Similarity NPD6054 Approved
0.6639 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6612 Remote Similarity NPD8297 Approved
0.6609 Remote Similarity NPD5344 Discontinued
0.6589 Remote Similarity NPD7078 Approved
0.6587 Remote Similarity NPD8516 Approved
0.6587 Remote Similarity NPD8515 Approved
0.6587 Remote Similarity NPD8513 Phase 3
0.6587 Remote Similarity NPD8517 Approved
0.6579 Remote Similarity NPD4225 Approved
0.6557 Remote Similarity NPD4632 Approved
0.6538 Remote Similarity NPD7525 Registered
0.6532 Remote Similarity NPD7115 Discovery
0.6525 Remote Similarity NPD5739 Approved
0.6525 Remote Similarity NPD6402 Approved
0.6525 Remote Similarity NPD7128 Approved
0.6525 Remote Similarity NPD6675 Approved
0.65 Remote Similarity NPD6373 Approved
0.65 Remote Similarity NPD6372 Approved
0.6484 Remote Similarity NPD6067 Discontinued
0.6466 Remote Similarity NPD8449 Approved
0.6465 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6457 Remote Similarity NPD6015 Approved
0.6457 Remote Similarity NPD6016 Approved
0.6452 Remote Similarity NPD6940 Discontinued
0.6449 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6446 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6399 Phase 3
0.6418 Remote Similarity NPD8450 Suspended
0.6417 Remote Similarity NPD6899 Approved
0.6417 Remote Similarity NPD7320 Approved
0.6417 Remote Similarity NPD6881 Approved
0.6406 Remote Similarity NPD5988 Approved
0.6393 Remote Similarity NPD6650 Approved
0.6393 Remote Similarity NPD6649 Approved
0.6355 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6355 Remote Similarity NPD6695 Phase 3
0.6355 Remote Similarity NPD3669 Approved
0.6346 Remote Similarity NPD6114 Approved
0.6346 Remote Similarity NPD6697 Approved
0.6346 Remote Similarity NPD6115 Approved
0.6346 Remote Similarity NPD6118 Approved
0.6339 Remote Similarity NPD7637 Suspended
0.6333 Remote Similarity NPD5701 Approved
0.6333 Remote Similarity NPD5697 Approved
0.6328 Remote Similarity NPD6921 Approved
0.6311 Remote Similarity NPD7102 Approved
0.6311 Remote Similarity NPD7290 Approved
0.6311 Remote Similarity NPD6883 Approved
0.6286 Remote Similarity NPD7645 Phase 2
0.6273 Remote Similarity NPD4751 Clinical (unspecified phase)
0.626 Remote Similarity NPD6617 Approved
0.626 Remote Similarity NPD8130 Phase 1
0.626 Remote Similarity NPD6847 Approved
0.626 Remote Similarity NPD8413 Clinical (unspecified phase)
0.626 Remote Similarity NPD6869 Approved
0.625 Remote Similarity NPD6008 Approved
0.625 Remote Similarity NPD6116 Phase 1
0.6239 Remote Similarity NPD6648 Approved
0.6231 Remote Similarity NPD7604 Phase 2
0.623 Remote Similarity NPD6012 Approved
0.623 Remote Similarity NPD6014 Approved
0.623 Remote Similarity NPD6013 Approved
0.6228 Remote Similarity NPD7748 Approved
0.6207 Remote Similarity NPD6083 Phase 2
0.6207 Remote Similarity NPD7902 Approved
0.6207 Remote Similarity NPD6084 Phase 2
0.6202 Remote Similarity NPD5983 Phase 2
0.62 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6198 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6195 Remote Similarity NPD7515 Phase 2
0.6174 Remote Similarity NPD7991 Discontinued
0.6165 Remote Similarity NPD6033 Approved
0.6161 Remote Similarity NPD6051 Approved
0.6154 Remote Similarity NPD6117 Approved
0.6154 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6148 Remote Similarity NPD6011 Approved
0.6136 Remote Similarity NPD6336 Discontinued
0.6134 Remote Similarity NPD5211 Phase 2
0.6132 Remote Similarity NPD6929 Approved
0.6129 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6126 Remote Similarity NPD7750 Discontinued
0.6117 Remote Similarity NPD1811 Approved
0.6117 Remote Similarity NPD1810 Approved
0.608 Remote Similarity NPD6053 Discontinued
0.6075 Remote Similarity NPD6930 Phase 2
0.6075 Remote Similarity NPD6931 Approved
0.6071 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6068 Remote Similarity NPD4755 Approved
0.6058 Remote Similarity NPD6942 Approved
0.6058 Remote Similarity NPD7339 Approved
0.6055 Remote Similarity NPD4788 Approved
0.605 Remote Similarity NPD4159 Approved
0.6048 Remote Similarity NPD4634 Approved
0.6033 Remote Similarity NPD5141 Approved
0.6017 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6 Remote Similarity NPD4202 Approved
0.6 Remote Similarity NPD4786 Approved
0.5982 Remote Similarity NPD4251 Approved
0.5982 Remote Similarity NPD4250 Approved
0.597 Remote Similarity NPD8074 Phase 3
0.5966 Remote Similarity NPD4700 Approved
0.5966 Remote Similarity NPD5286 Approved
0.5966 Remote Similarity NPD4696 Approved
0.5966 Remote Similarity NPD5285 Approved
0.5965 Remote Similarity NPD6698 Approved
0.5965 Remote Similarity NPD46 Approved
0.5965 Remote Similarity NPD3168 Discontinued
0.5962 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5948 Remote Similarity NPD7900 Approved
0.5948 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5943 Remote Similarity NPD6925 Approved
0.5943 Remote Similarity NPD5776 Phase 2
0.5938 Remote Similarity NPD6274 Approved
0.5926 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5923 Remote Similarity NPD7101 Approved
0.5923 Remote Similarity NPD7100 Approved
0.592 Remote Similarity NPD6371 Approved
0.5917 Remote Similarity NPD1700 Approved
0.5913 Remote Similarity NPD7087 Discontinued
0.5897 Remote Similarity NPD5695 Phase 3
0.5893 Remote Similarity NPD4249 Approved
0.5893 Remote Similarity NPD7334 Approved
0.5893 Remote Similarity NPD5330 Approved
0.5893 Remote Similarity NPD6409 Approved
0.5893 Remote Similarity NPD7521 Approved
0.5893 Remote Similarity NPD6684 Approved
0.5893 Remote Similarity NPD7146 Approved
0.5888 Remote Similarity NPD7145 Approved
0.5882 Remote Similarity NPD5696 Approved
0.5877 Remote Similarity NPD5328 Approved
0.5868 Remote Similarity NPD4633 Approved
0.5868 Remote Similarity NPD5224 Approved
0.5868 Remote Similarity NPD5226 Approved
0.5868 Remote Similarity NPD5225 Approved
0.5854 Remote Similarity NPD4767 Approved
0.5854 Remote Similarity NPD4768 Approved
0.5849 Remote Similarity NPD6933 Approved
0.5846 Remote Similarity NPD6335 Approved
0.5833 Remote Similarity NPD6909 Approved
0.5833 Remote Similarity NPD6908 Approved
0.5826 Remote Similarity NPD7838 Discovery
0.5825 Remote Similarity NPD2686 Approved
0.5825 Remote Similarity NPD2687 Approved
0.5825 Remote Similarity NPD2254 Approved
0.582 Remote Similarity NPD5175 Approved
0.582 Remote Similarity NPD5174 Approved
0.5818 Remote Similarity NPD3667 Approved
0.5804 Remote Similarity NPD6893 Approved
0.5789 Remote Similarity NPD6903 Approved
0.5785 Remote Similarity NPD5223 Approved
0.578 Remote Similarity NPD7514 Phase 3
0.578 Remote Similarity NPD4821 Approved
0.578 Remote Similarity NPD4822 Approved
0.578 Remote Similarity NPD4819 Approved
0.578 Remote Similarity NPD4820 Approved
0.578 Remote Similarity NPD4748 Discontinued

Structure

External Identifiers

PubChem CID   56676700
ChEMBL   CHEMBL1802172
ZINC  

Physicochemical Properties

Molecular Weight:  438.23
ALogP:  -1.9667
MLogP:  3.11
XLogP:  1.324
# Rotatable Bonds:  11
Polar Surface Area:  125.68
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  31

Download Data

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