Natural Product: NPC473148

Natural Product ID:  NPC473148
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H36O11
Standard InCHIKey:  HLZBRVYCKXUHSB-VUUNWOKMSA-N
Standard InCHI:  InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13-23,26-31H,3-8H2,1-2H3/t13-,14-,15+,16+,17-,18+,19?,20+,21-,22+,23+,26+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@H](C2=C)[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](CC3=C)OC(=O)C(C(C)C)O)[C@@H]([C@H]([C@@H]1O)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
NPO32813 ixeris dentata Species Asteraceae Eukaryota Roots PMID[26341134]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 97.5 % 20159656
NPT2 Others Unspecified Activity = 105 % 12398540
NPT2 Others Unspecified Activity = 18.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Activity = 21.5 nM 18442289

  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 NPC473148 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
0.9579 High Similarity NPC249171
0.9579 High Similarity NPC49833
0.9474 High Similarity NPC304445
0.9474 High Similarity NPC236580
0.9286 High Similarity NPC80144
0.9263 High Similarity NPC167893
0.9184 High Similarity NPC67296
0.9167 High Similarity NPC474297
0.9072 High Similarity NPC263674
0.9072 High Similarity NPC58267
0.9072 High Similarity NPC261372
0.8687 High Similarity NPC474313
0.8627 High Similarity NPC475928
0.8462 Intermediate Similarity NPC170432
0.8438 Intermediate Similarity NPC217983
0.8438 Intermediate Similarity NPC207114
0.8416 Intermediate Similarity NPC472015
0.8381 Intermediate Similarity NPC80338
0.8381 Intermediate Similarity NPC148270
0.8381 Intermediate Similarity NPC197813
0.835 Intermediate Similarity NPC35185
0.835 Intermediate Similarity NPC474730
0.835 Intermediate Similarity NPC4899
0.835 Intermediate Similarity NPC106668
0.835 Intermediate Similarity NPC177013
0.8333 Intermediate Similarity NPC473146
0.8317 Intermediate Similarity NPC471150
0.83 Intermediate Similarity NPC472873
0.8283 Intermediate Similarity NPC475788
0.8269 Intermediate Similarity NPC37240
0.8269 Intermediate Similarity NPC27687
0.8265 Intermediate Similarity NPC54065
0.8265 Intermediate Similarity NPC297474
0.8265 Intermediate Similarity NPC19087
0.8229 Intermediate Similarity NPC187661
0.8218 Intermediate Similarity NPC476009
0.8182 Intermediate Similarity NPC57304
0.8182 Intermediate Similarity NPC293001
0.8182 Intermediate Similarity NPC29821
0.8182 Intermediate Similarity NPC171360
0.8182 Intermediate Similarity NPC35959
0.8182 Intermediate Similarity NPC184063
0.8182 Intermediate Similarity NPC133888
0.8182 Intermediate Similarity NPC63193
0.8163 Intermediate Similarity NPC38392
0.8163 Intermediate Similarity NPC215556
0.8163 Intermediate Similarity NPC155935
0.8148 Intermediate Similarity NPC193741
0.8131 Intermediate Similarity NPC110701
0.8119 Intermediate Similarity NPC475900
0.8119 Intermediate Similarity NPC163228
0.8113 Intermediate Similarity NPC44004
0.8113 Intermediate Similarity NPC127235
0.8081 Intermediate Similarity NPC474323
0.8081 Intermediate Similarity NPC35809
0.8081 Intermediate Similarity NPC216284
0.8081 Intermediate Similarity NPC206614
0.8077 Intermediate Similarity NPC287539
0.8077 Intermediate Similarity NPC3488
0.8061 Intermediate Similarity NPC79549
0.8061 Intermediate Similarity NPC470009
0.8058 Intermediate Similarity NPC37866
0.8041 Intermediate Similarity NPC304558
0.8039 Intermediate Similarity NPC161293
0.8039 Intermediate Similarity NPC54731
0.8039 Intermediate Similarity NPC306041
0.8037 Intermediate Similarity NPC26617
0.8021 Intermediate Similarity NPC224386
0.8021 Intermediate Similarity NPC194859
0.802 Intermediate Similarity NPC473331
0.8 Intermediate Similarity NPC475924
0.8 Intermediate Similarity NPC475851
0.8 Intermediate Similarity NPC475925
0.8 Intermediate Similarity NPC235051
0.8 Intermediate Similarity NPC246076
0.7981 Intermediate Similarity NPC186861
0.7981 Intermediate Similarity NPC471381
0.798 Intermediate Similarity NPC92974
0.798 Intermediate Similarity NPC283409
0.7963 Intermediate Similarity NPC68248
0.7961 Intermediate Similarity NPC311904
0.7941 Intermediate Similarity NPC93869
0.7941 Intermediate Similarity NPC6765
0.7917 Intermediate Similarity NPC128246
0.7905 Intermediate Similarity NPC216911
0.7885 Intermediate Similarity NPC45125
0.7879 Intermediate Similarity NPC58219
0.7879 Intermediate Similarity NPC471149
0.7879 Intermediate Similarity NPC177629
0.7864 Intermediate Similarity NPC76862
0.7864 Intermediate Similarity NPC158416
0.7864 Intermediate Similarity NPC24956
0.7864 Intermediate Similarity NPC142529
0.7864 Intermediate Similarity NPC470883
0.7864 Intermediate Similarity NPC39859
0.7864 Intermediate Similarity NPC91771
0.7864 Intermediate Similarity NPC18019
0.7857 Intermediate Similarity NPC56593
0.7843 Intermediate Similarity NPC190294
0.7843 Intermediate Similarity NPC274588
0.7822 Intermediate Similarity NPC329952
0.7822 Intermediate Similarity NPC155215
0.781 Intermediate Similarity NPC476320
0.781 Intermediate Similarity NPC476211
0.7798 Intermediate Similarity NPC255082
0.7788 Intermediate Similarity NPC323421
0.7788 Intermediate Similarity NPC472290
0.7788 Intermediate Similarity NPC181151
0.7788 Intermediate Similarity NPC328562
0.7778 Intermediate Similarity NPC24728
0.7778 Intermediate Similarity NPC186148
0.7778 Intermediate Similarity NPC118601
0.7778 Intermediate Similarity NPC190753
0.7778 Intermediate Similarity NPC54737
0.7767 Intermediate Similarity NPC476053
0.7767 Intermediate Similarity NPC213698
0.7757 Intermediate Similarity NPC329834
0.7755 Intermediate Similarity NPC284534
0.7755 Intermediate Similarity NPC204105
0.7755 Intermediate Similarity NPC300082
0.7745 Intermediate Similarity NPC258216
0.7736 Intermediate Similarity NPC150923
0.7736 Intermediate Similarity NPC476230
0.7736 Intermediate Similarity NPC27474
0.7732 Intermediate Similarity NPC111409
0.7727 Intermediate Similarity NPC59489
0.7727 Intermediate Similarity NPC139838
0.7708 Intermediate Similarity NPC126248
0.77 Intermediate Similarity NPC178875
0.7692 Intermediate Similarity NPC31645
0.7692 Intermediate Similarity NPC170527
0.7685 Intermediate Similarity NPC474917
0.7677 Intermediate Similarity NPC162071
0.7677 Intermediate Similarity NPC476015
0.7677 Intermediate Similarity NPC236692
0.7677 Intermediate Similarity NPC309757
0.7677 Intermediate Similarity NPC475019
0.7677 Intermediate Similarity NPC64153
0.7677 Intermediate Similarity NPC474949
0.7677 Intermediate Similarity NPC474762
0.7672 Intermediate Similarity NPC142882
0.767 Intermediate Similarity NPC127019
0.767 Intermediate Similarity NPC198853
0.767 Intermediate Similarity NPC63897
0.7664 Intermediate Similarity NPC86077
0.7664 Intermediate Similarity NPC261117
0.7664 Intermediate Similarity NPC474747
0.7664 Intermediate Similarity NPC310804
0.7647 Intermediate Similarity NPC184463
0.7647 Intermediate Similarity NPC133698
0.7647 Intermediate Similarity NPC131209
0.7647 Intermediate Similarity NPC472197
0.7642 Intermediate Similarity NPC70865
0.7636 Intermediate Similarity NPC475960
0.7636 Intermediate Similarity NPC392
0.7636 Intermediate Similarity NPC177524
0.7636 Intermediate Similarity NPC219900
0.7632 Intermediate Similarity NPC277583
0.7624 Intermediate Similarity NPC173926
0.7624 Intermediate Similarity NPC474951
0.7624 Intermediate Similarity NPC472872
0.7619 Intermediate Similarity NPC474182
0.7619 Intermediate Similarity NPC161493
0.7619 Intermediate Similarity NPC476612
0.7619 Intermediate Similarity NPC476613
0.7607 Intermediate Similarity NPC470829
0.7607 Intermediate Similarity NPC473228
0.7596 Intermediate Similarity NPC52044
0.7596 Intermediate Similarity NPC170120
0.7596 Intermediate Similarity NPC36954
0.7596 Intermediate Similarity NPC67584
0.7593 Intermediate Similarity NPC329704
0.7593 Intermediate Similarity NPC475945
0.7593 Intermediate Similarity NPC475871
0.7576 Intermediate Similarity NPC329749
0.7573 Intermediate Similarity NPC200237
0.7573 Intermediate Similarity NPC60386
0.7573 Intermediate Similarity NPC472196
0.7573 Intermediate Similarity NPC476300
0.7573 Intermediate Similarity NPC473273
0.7573 Intermediate Similarity NPC320089
0.7573 Intermediate Similarity NPC473234
0.7573 Intermediate Similarity NPC238090
0.7573 Intermediate Similarity NPC473263
0.7573 Intermediate Similarity NPC472874
0.7573 Intermediate Similarity NPC472195
0.7573 Intermediate Similarity NPC308656
0.757 Intermediate Similarity NPC171759
0.757 Intermediate Similarity NPC473332
0.757 Intermediate Similarity NPC476228
0.7551 Intermediate Similarity NPC245665
0.7547 Intermediate Similarity NPC187268
0.7524 Intermediate Similarity NPC213078
0.7523 Intermediate Similarity NPC472748
0.7523 Intermediate Similarity NPC86095
0.7521 Intermediate Similarity NPC317635
0.7521 Intermediate Similarity NPC329008
0.75 Intermediate Similarity NPC159698
0.75 Intermediate Similarity NPC320019
0.75 Intermediate Similarity NPC304163

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473148 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
0.8037 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD6686 Approved
0.7434 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD6698 Approved
0.7379 Intermediate Similarity NPD46 Approved
0.7304 Intermediate Similarity NPD8133 Approved
0.7115 Intermediate Similarity NPD1695 Approved
0.708 Intermediate Similarity NPD6412 Phase 2
0.7073 Intermediate Similarity NPD7507 Approved
0.7043 Intermediate Similarity NPD6371 Approved
0.6909 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7319 Approved
0.6885 Remote Similarity NPD8516 Approved
0.6885 Remote Similarity NPD8513 Phase 3
0.6885 Remote Similarity NPD8515 Approved
0.6885 Remote Similarity NPD8517 Approved
0.6789 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6777 Remote Similarity NPD7328 Approved
0.6777 Remote Similarity NPD7327 Approved
0.6748 Remote Similarity NPD8033 Approved
0.6729 Remote Similarity NPD7838 Discovery
0.6721 Remote Similarity NPD7516 Approved
0.6694 Remote Similarity NPD6370 Approved
0.6693 Remote Similarity NPD7736 Approved
0.6667 Remote Similarity NPD8377 Approved
0.6667 Remote Similarity NPD8294 Approved
0.6639 Remote Similarity NPD6053 Discontinued
0.6614 Remote Similarity NPD8293 Discontinued
0.6613 Remote Similarity NPD8378 Approved
0.6613 Remote Similarity NPD8296 Approved
0.6613 Remote Similarity NPD8380 Approved
0.6613 Remote Similarity NPD8335 Approved
0.6613 Remote Similarity NPD8379 Approved
0.6613 Remote Similarity NPD7503 Approved
0.6609 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6609 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6604 Remote Similarity NPD4251 Approved
0.6604 Remote Similarity NPD4250 Approved
0.6587 Remote Similarity NPD7492 Approved
0.6557 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6545 Remote Similarity NPD5282 Discontinued
0.6535 Remote Similarity NPD6616 Approved
0.6532 Remote Similarity NPD6054 Approved
0.6525 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6514 Remote Similarity NPD7983 Approved
0.6509 Remote Similarity NPD4249 Approved
0.6508 Remote Similarity NPD8328 Phase 3
0.6504 Remote Similarity NPD7641 Discontinued
0.6484 Remote Similarity NPD7078 Approved
0.648 Remote Similarity NPD8267 Approved
0.648 Remote Similarity NPD8268 Approved
0.648 Remote Similarity NPD8269 Approved
0.648 Remote Similarity NPD8266 Approved
0.6441 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6422 Remote Similarity NPD5785 Approved
0.6418 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6415 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6415 Remote Similarity NPD6082 Clinical (unspecified phase)
0.64 Remote Similarity NPD6059 Approved
0.6381 Remote Similarity NPD5362 Discontinued
0.6378 Remote Similarity NPD7642 Approved
0.6378 Remote Similarity NPD7830 Approved
0.6378 Remote Similarity NPD7829 Approved
0.6364 Remote Similarity NPD6882 Approved
0.6357 Remote Similarity NPD8074 Phase 3
0.6349 Remote Similarity NPD6015 Approved
0.6349 Remote Similarity NPD6016 Approved
0.6325 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6316 Remote Similarity NPD4225 Approved
0.6316 Remote Similarity NPD7638 Approved
0.6299 Remote Similarity NPD8080 Discontinued
0.6299 Remote Similarity NPD5988 Approved
0.629 Remote Similarity NPD6009 Approved
0.6286 Remote Similarity NPD6435 Approved
0.6279 Remote Similarity NPD8451 Approved
0.627 Remote Similarity NPD6319 Approved
0.6262 Remote Similarity NPD5363 Approved
0.6261 Remote Similarity NPD7639 Approved
0.6261 Remote Similarity NPD7640 Approved
0.625 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6241 Remote Similarity NPD6845 Suspended
0.6231 Remote Similarity NPD8448 Approved
0.623 Remote Similarity NPD8297 Approved
0.6226 Remote Similarity NPD7154 Phase 3
0.622 Remote Similarity NPD8274 Clinical (unspecified phase)
0.622 Remote Similarity NPD8444 Approved
0.6214 Remote Similarity NPD4802 Phase 2
0.6214 Remote Similarity NPD4238 Approved
0.6207 Remote Similarity NPD5344 Discontinued
0.619 Remote Similarity NPD5369 Approved
0.6179 Remote Similarity NPD4632 Approved
0.6165 Remote Similarity NPD7260 Phase 2
0.616 Remote Similarity NPD7115 Discovery
0.616 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6148 Remote Similarity NPD6650 Approved
0.6148 Remote Similarity NPD6649 Approved
0.614 Remote Similarity NPD7839 Suspended
0.6132 Remote Similarity NPD4270 Approved
0.6132 Remote Similarity NPD4269 Approved
0.6124 Remote Similarity NPD6067 Discontinued
0.6116 Remote Similarity NPD6372 Approved
0.6116 Remote Similarity NPD6373 Approved
0.6095 Remote Similarity NPD5368 Approved
0.6095 Remote Similarity NPD4820 Approved
0.6095 Remote Similarity NPD4822 Approved
0.6095 Remote Similarity NPD4819 Approved
0.6095 Remote Similarity NPD4821 Approved
0.609 Remote Similarity NPD8391 Approved
0.609 Remote Similarity NPD8390 Approved
0.609 Remote Similarity NPD8392 Approved
0.6087 Remote Similarity NPD6084 Phase 2
0.6087 Remote Similarity NPD6083 Phase 2
0.6077 Remote Similarity NPD8341 Approved
0.6077 Remote Similarity NPD8340 Approved
0.6077 Remote Similarity NPD8299 Approved
0.6077 Remote Similarity NPD8342 Approved
0.6061 Remote Similarity NPD8337 Approved
0.6061 Remote Similarity NPD8336 Approved
0.6058 Remote Similarity NPD4268 Approved
0.6058 Remote Similarity NPD4271 Approved
0.6055 Remote Similarity NPD5786 Approved
0.6033 Remote Similarity NPD6881 Approved
0.6033 Remote Similarity NPD7320 Approved
0.6033 Remote Similarity NPD6899 Approved
0.6018 Remote Similarity NPD6399 Phase 3
0.6018 Remote Similarity NPD5779 Approved
0.6018 Remote Similarity NPD5778 Approved
0.6 Remote Similarity NPD6675 Approved
0.6 Remote Similarity NPD5739 Approved
0.6 Remote Similarity NPD7128 Approved
0.6 Remote Similarity NPD6402 Approved
0.5984 Remote Similarity NPD4061 Clinical (unspecified phase)
0.597 Remote Similarity NPD5956 Approved
0.5969 Remote Similarity NPD6921 Approved
0.595 Remote Similarity NPD5697 Approved
0.5943 Remote Similarity NPD4252 Approved
0.594 Remote Similarity NPD6033 Approved
0.5935 Remote Similarity NPD7290 Approved
0.5935 Remote Similarity NPD7102 Approved
0.5935 Remote Similarity NPD6883 Approved
0.5935 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5929 Remote Similarity NPD8035 Phase 2
0.5929 Remote Similarity NPD8034 Phase 2
0.5926 Remote Similarity NPD5332 Approved
0.5926 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5926 Remote Similarity NPD3669 Approved
0.5926 Remote Similarity NPD5331 Approved
0.5913 Remote Similarity NPD5695 Phase 3
0.5909 Remote Similarity NPD8273 Phase 1
0.5897 Remote Similarity NPD5696 Approved
0.5893 Remote Similarity NPD6101 Approved
0.5893 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5888 Remote Similarity NPD4790 Discontinued
0.5887 Remote Similarity NPD6617 Approved
0.5887 Remote Similarity NPD6869 Approved
0.5887 Remote Similarity NPD8130 Phase 1
0.5887 Remote Similarity NPD6847 Approved
0.5882 Remote Similarity NPD7632 Discontinued
0.5882 Remote Similarity NPD8086 Approved
0.5882 Remote Similarity NPD8084 Approved
0.5882 Remote Similarity NPD8138 Approved
0.5882 Remote Similarity NPD8085 Approved
0.5882 Remote Similarity NPD8338 Approved
0.5882 Remote Similarity NPD8083 Approved
0.5882 Remote Similarity NPD8139 Approved
0.5882 Remote Similarity NPD8082 Approved
0.5878 Remote Similarity NPD7604 Phase 2
0.5877 Remote Similarity NPD8171 Discontinued
0.5872 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5868 Remote Similarity NPD6008 Approved
0.5862 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5859 Remote Similarity NPD898 Approved
0.5859 Remote Similarity NPD897 Approved
0.5859 Remote Similarity NPD896 Approved
0.5854 Remote Similarity NPD6014 Approved
0.5854 Remote Similarity NPD6013 Approved
0.5854 Remote Similarity NPD6012 Approved
0.5847 Remote Similarity NPD6648 Approved
0.5846 Remote Similarity NPD5983 Phase 2
0.5833 Remote Similarity NPD8276 Approved
0.5833 Remote Similarity NPD8275 Approved
0.582 Remote Similarity NPD5701 Approved
0.5789 Remote Similarity NPD6411 Approved
0.5789 Remote Similarity NPD6336 Discontinued
0.5789 Remote Similarity NPD7637 Suspended
0.5785 Remote Similarity NPD8081 Approved
0.578 Remote Similarity NPD6110 Phase 1
0.5772 Remote Similarity NPD6011 Approved
0.5755 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5741 Remote Similarity NPD1779 Approved
0.5741 Remote Similarity NPD1780 Approved
0.5738 Remote Similarity NPD8393 Approved
0.5714 Remote Similarity NPD7524 Approved
0.5701 Remote Similarity NPD7329 Approved
0.5691 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5688 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5686 Remote Similarity NPD7532 Clinical (unspecified phase)
0.568 Remote Similarity NPD4634 Approved
0.5676 Remote Similarity NPD1694 Approved
0.5676 Remote Similarity NPD7520 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3622765
ZINC  

Physicochemical Properties

Molecular Weight:  524.23
ALogP:  -1.1061
MLogP:  3.11
XLogP:  -0.622
# Rotatable Bonds:  14
Polar Surface Area:  172.21
# H-Bond Aceptor:  11
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  37

Download Data

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