Natural Product: NPC473159

Natural Product ID:  NPC473159
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C46H70O11
Standard InCHIKey:  GHOMOQOSGKMYHT-IUYCQTIWSA-N
Standard InCHI:  InChI=1S/C46H70O11/c1-12-25(3)38(52)56-36-29(23-47)54-40(35(51)37(36)57-39(53)26(4)13-2)55-34-22-41(5,6)20-28-27-14-15-31-43(9)18-17-32(49)42(7,8)30(43)16-19-44(31,10)45(27,11)21-33(50)46(28,34)24-48/h12-14,17-18,28-37,40,47-51H,15-16,19-24H2,1-11H3/b25-12-,26-13-/t28-,29+,30-,31+,32-,33+,34-,35+,36+,37+,40-,43-,44+,45+,46-/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2CC(C)(C)C[C@@H]3[C@@]2(CO)[C@H](O)C[C@@]2(C3=CC[C@H]3[C@@]2(C)CC[C@@H]2[C@]3(C)C=C[C@@H](C2(C)C)O)C)[C@@H]([C@H]([C@@H]1OC(=O)/C(=CC)/C)OC(=O)/C(=CC)/C)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
NPO33464 cyrilla racemiflora Species Cyrillaceae Eukaryota PMID[26422131]

  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 > 10000 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 NPC473159 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
0.9099 High Similarity NPC470515
0.9018 High Similarity NPC470911
0.9018 High Similarity NPC470915
0.9018 High Similarity NPC470914
0.9018 High Similarity NPC470517
0.8879 High Similarity NPC297950
0.8818 High Similarity NPC473125
0.8796 High Similarity NPC475263
0.8774 High Similarity NPC473123
0.8774 High Similarity NPC473124
0.8772 High Similarity NPC135369
0.875 High Similarity NPC207637
0.8739 High Similarity NPC44298
0.8739 High Similarity NPC49413
0.8739 High Similarity NPC290608
0.8739 High Similarity NPC473128
0.8739 High Similarity NPC40133
0.8729 High Similarity NPC472269
0.8729 High Similarity NPC112492
0.8729 High Similarity NPC23020
0.8729 High Similarity NPC472268
0.8729 High Similarity NPC472270
0.8716 High Similarity NPC137917
0.8704 High Similarity NPC473586
0.8692 High Similarity NPC173583
0.8692 High Similarity NPC473127
0.8692 High Similarity NPC470768
0.8692 High Similarity NPC203354
0.8692 High Similarity NPC110656
0.8673 High Similarity NPC473405
0.8649 High Similarity NPC471967
0.8649 High Similarity NPC328074
0.8649 High Similarity NPC317460
0.8649 High Similarity NPC470025
0.8649 High Similarity NPC321272
0.8636 High Similarity NPC78046
0.8636 High Similarity NPC269095
0.8636 High Similarity NPC220984
0.8611 High Similarity NPC470763
0.8611 High Similarity NPC470767
0.8611 High Similarity NPC88349
0.8609 High Similarity NPC476150
0.8609 High Similarity NPC476127
0.8609 High Similarity NPC470312
0.8598 High Similarity NPC162354
0.8596 High Similarity NPC471548
0.8585 High Similarity NPC280991
0.8585 High Similarity NPC477717
0.8571 High Similarity NPC45606
0.8571 High Similarity NPC470027
0.8571 High Similarity NPC264153
0.8571 High Similarity NPC220838
0.8559 High Similarity NPC17791
0.8545 High Similarity NPC237503
0.8545 High Similarity NPC306746
0.8545 High Similarity NPC167383
0.8545 High Similarity NPC57362
0.8545 High Similarity NPC204407
0.8534 High Similarity NPC476204
0.8534 High Similarity NPC170084
0.8534 High Similarity NPC40749
0.8532 High Similarity NPC472390
0.8532 High Similarity NPC281939
0.8522 High Similarity NPC470897
0.8522 High Similarity NPC292467
0.8522 High Similarity NPC236973
0.8522 High Similarity NPC469756
0.8522 High Similarity NPC32177
0.8522 High Similarity NPC55532
0.8522 High Similarity NPC30483
0.8512 High Similarity NPC322904
0.8512 High Similarity NPC319719
0.8512 High Similarity NPC475177
0.8512 High Similarity NPC233223
0.8512 High Similarity NPC183816
0.8512 High Similarity NPC196874
0.8512 High Similarity NPC324933
0.8512 High Similarity NPC473679
0.8512 High Similarity NPC475444
0.8509 High Similarity NPC474483
0.8509 High Similarity NPC471547
0.8509 High Similarity NPC93883
0.8505 High Similarity NPC283343
0.8505 High Similarity NPC258547
0.8505 High Similarity NPC121423
0.8505 High Similarity NPC201191
0.8491 Intermediate Similarity NPC477721
0.8491 Intermediate Similarity NPC477716
0.8487 Intermediate Similarity NPC470516
0.8476 Intermediate Similarity NPC125551
0.8476 Intermediate Similarity NPC240372
0.8476 Intermediate Similarity NPC309503
0.8476 Intermediate Similarity NPC96597
0.8476 Intermediate Similarity NPC91197
0.8476 Intermediate Similarity NPC155319
0.8476 Intermediate Similarity NPC239547
0.8475 Intermediate Similarity NPC471090
0.8468 Intermediate Similarity NPC274507
0.8468 Intermediate Similarity NPC108709
0.8468 Intermediate Similarity NPC476883
0.8468 Intermediate Similarity NPC474589
0.8468 Intermediate Similarity NPC270667
0.8468 Intermediate Similarity NPC75747
0.8468 Intermediate Similarity NPC199457
0.8468 Intermediate Similarity NPC102914
0.8468 Intermediate Similarity NPC476885
0.8468 Intermediate Similarity NPC164194
0.8468 Intermediate Similarity NPC174679
0.8468 Intermediate Similarity NPC136877
0.8468 Intermediate Similarity NPC56713
0.8468 Intermediate Similarity NPC29069
0.8468 Intermediate Similarity NPC68419
0.8468 Intermediate Similarity NPC279554
0.8468 Intermediate Similarity NPC476886
0.8468 Intermediate Similarity NPC316708
0.8468 Intermediate Similarity NPC59804
0.8468 Intermediate Similarity NPC476881
0.8468 Intermediate Similarity NPC476884
0.8468 Intermediate Similarity NPC476880
0.8468 Intermediate Similarity NPC475296
0.8468 Intermediate Similarity NPC7870
0.8468 Intermediate Similarity NPC90856
0.8468 Intermediate Similarity NPC476887
0.8468 Intermediate Similarity NPC127056
0.8468 Intermediate Similarity NPC476882
0.8468 Intermediate Similarity NPC110139
0.8455 Intermediate Similarity NPC38376
0.8455 Intermediate Similarity NPC470024
0.8455 Intermediate Similarity NPC219900
0.8455 Intermediate Similarity NPC177524
0.8455 Intermediate Similarity NPC28198
0.8455 Intermediate Similarity NPC284807
0.8455 Intermediate Similarity NPC476123
0.8455 Intermediate Similarity NPC177246
0.8455 Intermediate Similarity NPC392
0.8455 Intermediate Similarity NPC80210
0.8448 Intermediate Similarity NPC475629
0.8448 Intermediate Similarity NPC475556
0.8448 Intermediate Similarity NPC72260
0.8448 Intermediate Similarity NPC48692
0.844 Intermediate Similarity NPC218158
0.844 Intermediate Similarity NPC82251
0.843 Intermediate Similarity NPC311178
0.843 Intermediate Similarity NPC43589
0.843 Intermediate Similarity NPC300655
0.843 Intermediate Similarity NPC222951
0.8426 Intermediate Similarity NPC99627
0.8426 Intermediate Similarity NPC473129
0.8426 Intermediate Similarity NPC281378
0.8421 Intermediate Similarity NPC44170
0.8421 Intermediate Similarity NPC193382
0.8421 Intermediate Similarity NPC199428
0.8421 Intermediate Similarity NPC268954
0.8421 Intermediate Similarity NPC99620
0.8421 Intermediate Similarity NPC5311
0.8421 Intermediate Similarity NPC310341
0.8417 Intermediate Similarity NPC477193
0.8417 Intermediate Similarity NPC477192
0.8417 Intermediate Similarity NPC477191
0.8417 Intermediate Similarity NPC477194
0.8417 Intermediate Similarity NPC245094
0.8411 Intermediate Similarity NPC473160
0.8411 Intermediate Similarity NPC198992
0.8403 Intermediate Similarity NPC179261
0.8396 Intermediate Similarity NPC477928
0.8393 Intermediate Similarity NPC297208
0.8393 Intermediate Similarity NPC108748
0.8393 Intermediate Similarity NPC31839
0.8393 Intermediate Similarity NPC30397
0.8393 Intermediate Similarity NPC191763
0.8393 Intermediate Similarity NPC179434
0.8393 Intermediate Similarity NPC190837
0.8393 Intermediate Similarity NPC211798
0.8393 Intermediate Similarity NPC164419
0.8393 Intermediate Similarity NPC235841
0.8393 Intermediate Similarity NPC473481
0.8393 Intermediate Similarity NPC470026
0.8378 Intermediate Similarity NPC285253
0.8378 Intermediate Similarity NPC221110
0.8378 Intermediate Similarity NPC180459
0.8378 Intermediate Similarity NPC195116
0.8378 Intermediate Similarity NPC40728
0.8378 Intermediate Similarity NPC127853
0.8376 Intermediate Similarity NPC120390
0.8376 Intermediate Similarity NPC475590
0.8376 Intermediate Similarity NPC202051
0.8376 Intermediate Similarity NPC475419
0.8376 Intermediate Similarity NPC474908
0.8376 Intermediate Similarity NPC475219
0.8376 Intermediate Similarity NPC173555
0.8376 Intermediate Similarity NPC314535
0.8376 Intermediate Similarity NPC231518
0.8364 Intermediate Similarity NPC109376
0.8364 Intermediate Similarity NPC283849
0.8364 Intermediate Similarity NPC234160
0.8364 Intermediate Similarity NPC473538
0.8362 Intermediate Similarity NPC122971
0.8362 Intermediate Similarity NPC5883
0.8362 Intermediate Similarity NPC329905
0.8362 Intermediate Similarity NPC29639

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473159 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
0.8534 High Similarity NPD7503 Approved
0.8455 Intermediate Similarity NPD6686 Approved
0.8448 Intermediate Similarity NPD8377 Approved
0.8448 Intermediate Similarity NPD8294 Approved
0.8376 Intermediate Similarity NPD8335 Approved
0.8376 Intermediate Similarity NPD8380 Approved
0.8376 Intermediate Similarity NPD8033 Approved
0.8376 Intermediate Similarity NPD8378 Approved
0.8376 Intermediate Similarity NPD8379 Approved
0.8376 Intermediate Similarity NPD8296 Approved
0.8276 Intermediate Similarity NPD7327 Approved
0.8276 Intermediate Similarity NPD7328 Approved
0.8205 Intermediate Similarity NPD7516 Approved
0.8053 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7951 Intermediate Similarity NPD7507 Approved
0.7934 Intermediate Similarity NPD8328 Phase 3
0.7778 Intermediate Similarity NPD8133 Approved
0.776 Intermediate Similarity NPD7319 Approved
0.7719 Intermediate Similarity NPD6412 Phase 2
0.7658 Intermediate Similarity NPD7640 Approved
0.7658 Intermediate Similarity NPD7639 Approved
0.7583 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD7638 Approved
0.748 Intermediate Similarity NPD8516 Approved
0.748 Intermediate Similarity NPD8515 Approved
0.748 Intermediate Similarity NPD8513 Phase 3
0.748 Intermediate Similarity NPD8517 Approved
0.7411 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD4225 Approved
0.7402 Intermediate Similarity NPD7736 Approved
0.7295 Intermediate Similarity NPD7115 Discovery
0.7281 Intermediate Similarity NPD5344 Discontinued
0.7248 Intermediate Similarity NPD7838 Discovery
0.7207 Intermediate Similarity NPD7748 Approved
0.7168 Intermediate Similarity NPD7902 Approved
0.7167 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD7632 Discontinued
0.7027 Intermediate Similarity NPD7515 Phase 2
0.7008 Intermediate Similarity NPD6370 Approved
0.6967 Remote Similarity NPD6882 Approved
0.6967 Remote Similarity NPD8297 Approved
0.6942 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6937 Remote Similarity NPD46 Approved
0.6937 Remote Similarity NPD6698 Approved
0.6923 Remote Similarity NPD8293 Discontinued
0.6903 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6903 Remote Similarity NPD7900 Approved
0.6899 Remote Similarity NPD7492 Approved
0.6897 Remote Similarity NPD6648 Approved
0.688 Remote Similarity NPD6009 Approved
0.6852 Remote Similarity NPD6400 Clinical (unspecified phase)
0.685 Remote Similarity NPD6054 Approved
0.685 Remote Similarity NPD6319 Approved
0.6846 Remote Similarity NPD6616 Approved
0.6794 Remote Similarity NPD7078 Approved
0.6777 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6774 Remote Similarity NPD4632 Approved
0.6761 Remote Similarity NPD7625 Phase 1
0.6698 Remote Similarity NPD7645 Phase 2
0.6694 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD8074 Phase 3
0.6667 Remote Similarity NPD6015 Approved
0.6639 Remote Similarity NPD6881 Approved
0.6639 Remote Similarity NPD6899 Approved
0.6615 Remote Similarity NPD5988 Approved
0.6613 Remote Similarity NPD6649 Approved
0.6613 Remote Similarity NPD8130 Phase 1
0.6613 Remote Similarity NPD6650 Approved
0.6589 Remote Similarity NPD6059 Approved
0.6565 Remote Similarity NPD6067 Discontinued
0.6557 Remote Similarity NPD5697 Approved
0.6532 Remote Similarity NPD6883 Approved
0.6532 Remote Similarity NPD7102 Approved
0.6532 Remote Similarity NPD7290 Approved
0.6522 Remote Similarity NPD5778 Approved
0.6522 Remote Similarity NPD8171 Discontinued
0.6522 Remote Similarity NPD5779 Approved
0.648 Remote Similarity NPD6869 Approved
0.648 Remote Similarity NPD6617 Approved
0.648 Remote Similarity NPD6847 Approved
0.6475 Remote Similarity NPD5739 Approved
0.6475 Remote Similarity NPD7128 Approved
0.6475 Remote Similarity NPD6675 Approved
0.6475 Remote Similarity NPD6402 Approved
0.6471 Remote Similarity NPD7260 Phase 2
0.6452 Remote Similarity NPD6013 Approved
0.6452 Remote Similarity NPD6014 Approved
0.6452 Remote Similarity NPD6372 Approved
0.6452 Remote Similarity NPD6373 Approved
0.6452 Remote Similarity NPD6012 Approved
0.6439 Remote Similarity NPD7829 Approved
0.6439 Remote Similarity NPD7830 Approved
0.6439 Remote Similarity NPD7604 Phase 2
0.6435 Remote Similarity NPD6411 Approved
0.6435 Remote Similarity NPD7983 Approved
0.6435 Remote Similarity NPD7637 Suspended
0.6412 Remote Similarity NPD5983 Phase 2
0.64 Remote Similarity NPD6371 Approved
0.6393 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6372 Remote Similarity NPD3573 Approved
0.6371 Remote Similarity NPD7320 Approved
0.6371 Remote Similarity NPD6011 Approved
0.6364 Remote Similarity NPD5211 Phase 2
0.6364 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6343 Remote Similarity NPD6336 Discontinued
0.6339 Remote Similarity NPD1694 Approved
0.6316 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6303 Remote Similarity NPD6083 Phase 2
0.6303 Remote Similarity NPD6084 Phase 2
0.6299 Remote Similarity NPD6053 Discontinued
0.6293 Remote Similarity NPD6079 Approved
0.6293 Remote Similarity NPD8035 Phase 2
0.6293 Remote Similarity NPD8034 Phase 2
0.629 Remote Similarity NPD5701 Approved
0.629 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6288 Remote Similarity NPD6921 Approved
0.627 Remote Similarity NPD4634 Approved
0.6261 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6261 Remote Similarity NPD6101 Approved
0.6261 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6261 Remote Similarity NPD6051 Approved
0.626 Remote Similarity NPD5141 Approved
0.6239 Remote Similarity NPD6399 Phase 3
0.6228 Remote Similarity NPD7524 Approved
0.6198 Remote Similarity NPD5286 Approved
0.6198 Remote Similarity NPD5285 Approved
0.6198 Remote Similarity NPD4696 Approved
0.6187 Remote Similarity NPD8449 Approved
0.6182 Remote Similarity NPD7525 Registered
0.6173 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6161 Remote Similarity NPD3669 Approved
0.6161 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6143 Remote Similarity NPD8450 Suspended
0.614 Remote Similarity NPD7334 Approved
0.614 Remote Similarity NPD5330 Approved
0.614 Remote Similarity NPD7146 Approved
0.614 Remote Similarity NPD6409 Approved
0.614 Remote Similarity NPD6684 Approved
0.614 Remote Similarity NPD7521 Approved
0.614 Remote Similarity NPD3618 Phase 1
0.6136 Remote Similarity NPD7100 Approved
0.6136 Remote Similarity NPD7101 Approved
0.6134 Remote Similarity NPD5695 Phase 3
0.6131 Remote Similarity NPD6033 Approved
0.6127 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6121 Remote Similarity NPD5328 Approved
0.6111 Remote Similarity NPD7799 Discontinued
0.6106 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6103 Remote Similarity NPD8451 Approved
0.6098 Remote Similarity NPD5226 Approved
0.6098 Remote Similarity NPD5225 Approved
0.6098 Remote Similarity NPD4633 Approved
0.6098 Remote Similarity NPD5224 Approved
0.6096 Remote Similarity NPD7266 Discontinued
0.6094 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6083 Remote Similarity NPD5222 Approved
0.6083 Remote Similarity NPD7614 Phase 1
0.6083 Remote Similarity NPD7839 Suspended
0.6083 Remote Similarity NPD7732 Phase 3
0.6083 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6083 Remote Similarity NPD5221 Approved
0.608 Remote Similarity NPD6008 Approved
0.6074 Remote Similarity NPD7642 Approved
0.6071 Remote Similarity NPD6845 Suspended
0.6061 Remote Similarity NPD6335 Approved
0.6061 Remote Similarity NPD7641 Discontinued
0.6058 Remote Similarity NPD8448 Approved
0.6053 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6048 Remote Similarity NPD5174 Approved
0.6048 Remote Similarity NPD5175 Approved
0.6045 Remote Similarity NPD8444 Approved
0.6043 Remote Similarity NPD5956 Approved
0.6043 Remote Similarity NPD8392 Approved
0.6043 Remote Similarity NPD8391 Approved
0.6043 Remote Similarity NPD8390 Approved
0.6034 Remote Similarity NPD5737 Approved
0.6034 Remote Similarity NPD6903 Approved
0.6034 Remote Similarity NPD6672 Approved
0.6033 Remote Similarity NPD5173 Approved
0.6033 Remote Similarity NPD4755 Approved
0.6031 Remote Similarity NPD6868 Approved
0.6031 Remote Similarity NPD6274 Approved
0.6029 Remote Similarity NPD8299 Approved
0.6029 Remote Similarity NPD8341 Approved
0.6029 Remote Similarity NPD8340 Approved
0.6029 Remote Similarity NPD8342 Approved
0.6019 Remote Similarity NPD8264 Approved
0.6018 Remote Similarity NPD6695 Phase 3
0.6016 Remote Similarity NPD5223 Approved
0.6014 Remote Similarity NPD8336 Approved
0.6014 Remote Similarity NPD8337 Approved
0.5985 Remote Similarity NPD6317 Approved
0.5984 Remote Similarity NPD4729 Approved
0.5984 Remote Similarity NPD5696 Approved
0.5984 Remote Similarity NPD4730 Approved
0.5966 Remote Similarity NPD4202 Approved
0.5965 Remote Similarity NPD3665 Phase 1
0.5965 Remote Similarity NPD3133 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3632763
ZINC  

Physicochemical Properties

Molecular Weight:  798.49
ALogP:  3.167
MLogP:  5.31
XLogP:  7.515
# Rotatable Bonds:  26
Polar Surface Area:  172.21
# H-Bond Aceptor:  11
# H-Bond Donor:  5
# Rings:  6
# Heavy Atoms:  57

Download Data

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