Natural Product: NPC302887

Natural Product ID:  NPC302887
Common Name:   Camellioside D
IUPAC Name:   (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Synonyms:   Camellioside D
Molecular Formula:   C54H88O24
Standard InCHIKey:  LCUYLFDTSIUOCT-VTKJNYOFSA-N
Standard InCHI:  InChI=1S/C54H88O24/c1-49(2)14-15-54(21-58)23(16-49)22-8-9-28-51(5)12-11-30(50(3,4)27(51)10-13-52(28,6)53(22,7)17-29(54)59)74-48-43(78-46-38(67)35(64)32(61)25(19-56)72-46)40(39(68)41(76-48)44(69)70)75-47-42(36(65)33(62)26(20-57)73-47)77-45-37(66)34(63)31(60)24(18-55)71-45/h8,23-43,45-48,55-68H,9-21H2,1-7H3,(H,69,70)/t23-,24+,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41-,42+,43+,45-,46-,47-,48+,51-,52+,53+,54+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)CO)O)C)C)[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
NPO23380 Camellia japonica Species Theaceae Eukaryota Flower buds PMID[22834923]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = -6.2 % 17958396
NPT2 Others Unspecified Activity = 113.1 % 23623678
NPT2 Others Unspecified Activity = 108.6 % 23623678
NPT2 Others Unspecified Activity = 110.7 % 22742761
NPT2 Others Unspecified Activity = 94.7 % 23317013
NPT2 Others Unspecified Activity = 98.6 % 24571273
NPT2 Others Unspecified Activity = 107.6 % 24571273
NPT2 Others Unspecified Activity = 0.3 % 24571273
NPT2 Others Unspecified Activity = 16.3 % 24571273
NPT2 Others Unspecified Activity = 16.1 % 24571273
NPT2 Others Unspecified Activity = 8.3 % 24571273
NPT2 Others Unspecified Activity = 29.5 % DrugMatrix in vivo data: Pathology

  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 NPC302887 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 NPC187618
0.9911 High Similarity NPC236870
0.9911 High Similarity NPC131469
0.9911 High Similarity NPC80986
0.9911 High Similarity NPC313110
0.9911 High Similarity NPC21691
0.9911 High Similarity NPC10607
0.9911 High Similarity NPC187290
0.9911 High Similarity NPC4749
0.9911 High Similarity NPC475591
0.991 High Similarity NPC236657
0.991 High Similarity NPC118440
0.9823 High Similarity NPC283417
0.9823 High Similarity NPC257211
0.9823 High Similarity NPC302543
0.9823 High Similarity NPC200049
0.9823 High Similarity NPC258617
0.9821 High Similarity NPC223301
0.9821 High Similarity NPC11242
0.9821 High Similarity NPC64715
0.9821 High Similarity NPC297263
0.9821 High Similarity NPC22956
0.9821 High Similarity NPC171544
0.9821 High Similarity NPC104372
0.9821 High Similarity NPC301449
0.9821 High Similarity NPC222580
0.9821 High Similarity NPC114484
0.9821 High Similarity NPC62725
0.9821 High Similarity NPC86222
0.9821 High Similarity NPC159309
0.9821 High Similarity NPC31838
0.9737 High Similarity NPC23275
0.9737 High Similarity NPC33068
0.9737 High Similarity NPC160452
0.9735 High Similarity NPC162574
0.9735 High Similarity NPC213952
0.9652 High Similarity NPC475368
0.9652 High Similarity NPC181066
0.9652 High Similarity NPC470218
0.9652 High Similarity NPC469947
0.9652 High Similarity NPC284449
0.9649 High Similarity NPC281148
0.9649 High Similarity NPC44716
0.9649 High Similarity NPC2370
0.9649 High Similarity NPC235405
0.9649 High Similarity NPC30735
0.9643 High Similarity NPC180550
0.9643 High Similarity NPC469945
0.9643 High Similarity NPC473884
0.9643 High Similarity NPC475171
0.9643 High Similarity NPC35405
0.9643 High Similarity NPC214484
0.9643 High Similarity NPC472949
0.9643 High Similarity NPC39211
0.9643 High Similarity NPC208381
0.9643 High Similarity NPC192791
0.9643 High Similarity NPC6377
0.9643 High Similarity NPC11551
0.9643 High Similarity NPC309780
0.9643 High Similarity NPC114441
0.9643 High Similarity NPC157868
0.964 High Similarity NPC224121
0.9565 High Similarity NPC471963
0.9565 High Similarity NPC247315
0.9565 High Similarity NPC470477
0.9565 High Similarity NPC471962
0.9561 High Similarity NPC107966
0.9561 High Similarity NPC40775
0.9561 High Similarity NPC249848
0.9561 High Similarity NPC235438
0.9554 High Similarity NPC286347
0.9487 High Similarity NPC470475
0.9478 High Similarity NPC471964
0.9478 High Similarity NPC478066
0.9478 High Similarity NPC14617
0.9478 High Similarity NPC202666
0.9478 High Similarity NPC471961
0.9478 High Similarity NPC262199
0.9474 High Similarity NPC31193
0.9474 High Similarity NPC75417
0.9474 High Similarity NPC242840
0.9464 High Similarity NPC473824
0.9464 High Similarity NPC475119
0.9407 High Similarity NPC265841
0.9407 High Similarity NPC47995
0.9391 High Similarity NPC471965
0.9386 High Similarity NPC294112
0.9381 High Similarity NPC109588
0.9375 High Similarity NPC26626
0.9375 High Similarity NPC291903
0.9375 High Similarity NPC288205
0.9375 High Similarity NPC51465
0.9375 High Similarity NPC37134
0.9375 High Similarity NPC75287
0.9375 High Similarity NPC476992
0.9375 High Similarity NPC305267
0.9328 High Similarity NPC271610
0.9328 High Similarity NPC476774
0.9328 High Similarity NPC476780
0.9328 High Similarity NPC476775
0.9322 High Similarity NPC470476
0.9316 High Similarity NPC285091
0.9298 High Similarity NPC135849
0.9298 High Similarity NPC51564
0.9298 High Similarity NPC207738
0.9298 High Similarity NPC25663
0.9292 High Similarity NPC123522
0.9292 High Similarity NPC85154
0.9292 High Similarity NPC33012
0.9292 High Similarity NPC473452
0.9292 High Similarity NPC8524
0.9292 High Similarity NPC286457
0.9292 High Similarity NPC475514
0.9292 High Similarity NPC191827
0.9292 High Similarity NPC309223
0.9292 High Similarity NPC69811
0.9292 High Similarity NPC102505
0.9292 High Similarity NPC470876
0.9292 High Similarity NPC475209
0.9292 High Similarity NPC220160
0.9292 High Similarity NPC104137
0.9292 High Similarity NPC300419
0.9286 High Similarity NPC475486
0.9286 High Similarity NPC164389
0.925 High Similarity NPC178264
0.925 High Similarity NPC277212
0.925 High Similarity NPC476776
0.925 High Similarity NPC192765
0.925 High Similarity NPC473918
0.925 High Similarity NPC46823
0.925 High Similarity NPC312650
0.925 High Similarity NPC71391
0.925 High Similarity NPC30279
0.9244 High Similarity NPC269484
0.9244 High Similarity NPC252657
0.9244 High Similarity NPC252289
0.9244 High Similarity NPC107536
0.9244 High Similarity NPC470912
0.9244 High Similarity NPC305793
0.9244 High Similarity NPC11577
0.9244 High Similarity NPC9470
0.9244 High Similarity NPC115656
0.9244 High Similarity NPC244296
0.9244 High Similarity NPC472267
0.9244 High Similarity NPC273878
0.9244 High Similarity NPC280029
0.9244 High Similarity NPC470518
0.9244 High Similarity NPC97918
0.9244 High Similarity NPC141600
0.9244 High Similarity NPC88311
0.9244 High Similarity NPC82380
0.9244 High Similarity NPC1314
0.9224 High Similarity NPC275343
0.9217 High Similarity NPC476991
0.9211 High Similarity NPC473459
0.9211 High Similarity NPC232237
0.9211 High Similarity NPC105800
0.9211 High Similarity NPC237191
0.9204 High Similarity NPC161674
0.9204 High Similarity NPC471384
0.9196 High Similarity NPC475287
0.9196 High Similarity NPC473826
0.9196 High Similarity NPC241909
0.9196 High Similarity NPC166422
0.9196 High Similarity NPC295823
0.9196 High Similarity NPC323341
0.9196 High Similarity NPC475467
0.9196 High Similarity NPC309714
0.9196 High Similarity NPC133818
0.9196 High Similarity NPC114287
0.9196 High Similarity NPC46665
0.9196 High Similarity NPC251263
0.9196 High Similarity NPC219180
0.9196 High Similarity NPC174720
0.9196 High Similarity NPC151543
0.9196 High Similarity NPC155410
0.9196 High Similarity NPC192600
0.9196 High Similarity NPC114304
0.9174 High Similarity NPC476779
0.9174 High Similarity NPC225791
0.916 High Similarity NPC477194
0.916 High Similarity NPC477193
0.916 High Similarity NPC477075
0.916 High Similarity NPC477192
0.916 High Similarity NPC477078
0.916 High Similarity NPC477191
0.916 High Similarity NPC475281
0.916 High Similarity NPC329923
0.9138 High Similarity NPC470478
0.913 High Similarity NPC471577
0.913 High Similarity NPC473386
0.9123 High Similarity NPC68175
0.9123 High Similarity NPC148417
0.9123 High Similarity NPC110633
0.9123 High Similarity NPC471580
0.9123 High Similarity NPC136768
0.9123 High Similarity NPC323359
0.9115 High Similarity NPC224381
0.9115 High Similarity NPC76972
0.9115 High Similarity NPC123199

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC302887 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
0.9478 High Similarity NPD8328 Phase 3
0.9292 High Similarity NPD8295 Clinical (unspecified phase)
0.819 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD7736 Approved
0.7917 Intermediate Similarity NPD8133 Approved
0.7903 Intermediate Similarity NPD8516 Approved
0.7903 Intermediate Similarity NPD8515 Approved
0.7903 Intermediate Similarity NPD8517 Approved
0.776 Intermediate Similarity NPD8513 Phase 3
0.7734 Intermediate Similarity NPD8293 Discontinued
0.7615 Intermediate Similarity NPD7319 Approved
0.7559 Intermediate Similarity NPD6370 Approved
0.754 Intermediate Similarity NPD8294 Approved
0.754 Intermediate Similarity NPD8377 Approved
0.7519 Intermediate Similarity NPD7507 Approved
0.748 Intermediate Similarity NPD8378 Approved
0.748 Intermediate Similarity NPD8379 Approved
0.748 Intermediate Similarity NPD8335 Approved
0.748 Intermediate Similarity NPD8380 Approved
0.748 Intermediate Similarity NPD8296 Approved
0.7442 Intermediate Similarity NPD7492 Approved
0.7417 Intermediate Similarity NPD6412 Phase 2
0.7402 Intermediate Similarity NPD6054 Approved
0.7402 Intermediate Similarity NPD6319 Approved
0.7402 Intermediate Similarity NPD6059 Approved
0.7385 Intermediate Similarity NPD6616 Approved
0.7355 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD6686 Approved
0.7344 Intermediate Similarity NPD8033 Approved
0.7328 Intermediate Similarity NPD7902 Approved
0.7328 Intermediate Similarity NPD7078 Approved
0.7258 Intermediate Similarity NPD8297 Approved
0.7258 Intermediate Similarity NPD6882 Approved
0.7217 Intermediate Similarity NPD7748 Approved
0.7209 Intermediate Similarity NPD6015 Approved
0.7209 Intermediate Similarity NPD6016 Approved
0.7177 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD6009 Approved
0.7154 Intermediate Similarity NPD5988 Approved
0.7154 Intermediate Similarity NPD6373 Approved
0.7154 Intermediate Similarity NPD6372 Approved
0.7109 Intermediate Similarity NPD7328 Approved
0.7109 Intermediate Similarity NPD7327 Approved
0.7107 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD7900 Approved
0.7054 Intermediate Similarity NPD7516 Approved
0.7049 Intermediate Similarity NPD7128 Approved
0.7049 Intermediate Similarity NPD6675 Approved
0.7049 Intermediate Similarity NPD5739 Approved
0.7049 Intermediate Similarity NPD6402 Approved
0.7043 Intermediate Similarity NPD7515 Phase 2
0.704 Intermediate Similarity NPD6649 Approved
0.704 Intermediate Similarity NPD6650 Approved
0.6947 Remote Similarity NPD7503 Approved
0.6935 Remote Similarity NPD6899 Approved
0.6935 Remote Similarity NPD7320 Approved
0.6935 Remote Similarity NPD6881 Approved
0.6929 Remote Similarity NPD4632 Approved
0.6905 Remote Similarity NPD8130 Phase 1
0.6889 Remote Similarity NPD6033 Approved
0.6855 Remote Similarity NPD5697 Approved
0.6855 Remote Similarity NPD5701 Approved
0.6825 Remote Similarity NPD7290 Approved
0.6825 Remote Similarity NPD6883 Approved
0.6825 Remote Similarity NPD7102 Approved
0.6818 Remote Similarity NPD6921 Approved
0.6815 Remote Similarity NPD8074 Phase 3
0.6772 Remote Similarity NPD6847 Approved
0.6772 Remote Similarity NPD6869 Approved
0.6772 Remote Similarity NPD6617 Approved
0.6752 Remote Similarity NPD8035 Phase 2
0.6752 Remote Similarity NPD6411 Approved
0.6752 Remote Similarity NPD8034 Phase 2
0.6746 Remote Similarity NPD6012 Approved
0.6746 Remote Similarity NPD6013 Approved
0.6746 Remote Similarity NPD6014 Approved
0.6716 Remote Similarity NPD7604 Phase 2
0.6694 Remote Similarity NPD7638 Approved
0.6693 Remote Similarity NPD4634 Approved
0.6692 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD6011 Approved
0.6641 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6641 Remote Similarity NPD7115 Discovery
0.6639 Remote Similarity NPD7640 Approved
0.6639 Remote Similarity NPD7639 Approved
0.6618 Remote Similarity NPD6336 Discontinued
0.6581 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6581 Remote Similarity NPD6101 Approved
0.6577 Remote Similarity NPD7645 Phase 2
0.6577 Remote Similarity NPD7329 Approved
0.6557 Remote Similarity NPD4225 Approved
0.6555 Remote Similarity NPD6399 Phase 3
0.6555 Remote Similarity NPD8171 Discontinued
0.6484 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6475 Remote Similarity NPD4755 Approved
0.6475 Remote Similarity NPD6083 Phase 2
0.6475 Remote Similarity NPD6084 Phase 2
0.6471 Remote Similarity NPD7983 Approved
0.6471 Remote Similarity NPD6067 Discontinued
0.6444 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6439 Remote Similarity NPD6274 Approved
0.6434 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6418 Remote Similarity NPD7101 Approved
0.6418 Remote Similarity NPD7100 Approved
0.6417 Remote Similarity NPD5779 Approved
0.6417 Remote Similarity NPD5778 Approved
0.6408 Remote Similarity NPD8450 Suspended
0.6397 Remote Similarity NPD8080 Discontinued
0.6393 Remote Similarity NPD4697 Phase 3
0.6379 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6378 Remote Similarity NPD6008 Approved
0.6371 Remote Similarity NPD5286 Approved
0.6371 Remote Similarity NPD4696 Approved
0.6371 Remote Similarity NPD5285 Approved
0.6371 Remote Similarity NPD4700 Approved
0.6343 Remote Similarity NPD6335 Approved
0.6338 Remote Similarity NPD8449 Approved
0.6331 Remote Similarity NPD8448 Approved
0.6324 Remote Similarity NPD6909 Approved
0.6324 Remote Similarity NPD6908 Approved
0.6319 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6868 Approved
0.6312 Remote Similarity NPD8391 Approved
0.6312 Remote Similarity NPD8390 Approved
0.6312 Remote Similarity NPD8392 Approved
0.6304 Remote Similarity NPD8340 Approved
0.6304 Remote Similarity NPD8342 Approved
0.6304 Remote Similarity NPD8341 Approved
0.6304 Remote Similarity NPD8299 Approved
0.6303 Remote Similarity NPD5328 Approved
0.629 Remote Similarity NPD5696 Approved
0.6271 Remote Similarity NPD3573 Approved
0.627 Remote Similarity NPD5225 Approved
0.627 Remote Similarity NPD4633 Approved
0.627 Remote Similarity NPD5224 Approved
0.627 Remote Similarity NPD5211 Phase 2
0.627 Remote Similarity NPD5226 Approved
0.6269 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6269 Remote Similarity NPD6317 Approved
0.626 Remote Similarity NPD5222 Approved
0.626 Remote Similarity NPD5221 Approved
0.626 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6259 Remote Similarity NPD8451 Approved
0.625 Remote Similarity NPD4767 Approved
0.625 Remote Similarity NPD8415 Approved
0.625 Remote Similarity NPD4768 Approved
0.6222 Remote Similarity NPD6313 Approved
0.6222 Remote Similarity NPD6314 Approved
0.622 Remote Similarity NPD5174 Approved
0.622 Remote Similarity NPD5175 Approved
0.6218 Remote Similarity NPD5737 Approved
0.6218 Remote Similarity NPD6672 Approved
0.621 Remote Similarity NPD5173 Approved
0.6207 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6207 Remote Similarity NPD3669 Approved
0.6202 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6198 Remote Similarity NPD6079 Approved
0.6197 Remote Similarity NPD5956 Approved
0.619 Remote Similarity NPD5223 Approved
0.6186 Remote Similarity NPD3618 Phase 1
0.6179 Remote Similarity NPD5695 Phase 3
0.6172 Remote Similarity NPD5141 Approved
0.617 Remote Similarity NPD8336 Approved
0.617 Remote Similarity NPD8337 Approved
0.6167 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6164 Remote Similarity NPD7966 Clinical (unspecified phase)
0.616 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4729 Approved
0.6154 Remote Similarity NPD4730 Approved
0.6145 Remote Similarity NPD7799 Discontinued
0.6142 Remote Similarity NPD7632 Discontinued
0.6129 Remote Similarity NPD7839 Suspended
0.6116 Remote Similarity NPD6698 Approved
0.6116 Remote Similarity NPD46 Approved
0.6115 Remote Similarity NPD7830 Approved
0.6115 Remote Similarity NPD7829 Approved
0.6094 Remote Similarity NPD4754 Approved
0.6087 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6087 Remote Similarity NPD8444 Approved
0.6083 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6077 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6061 Remote Similarity NPD5247 Approved
0.6061 Remote Similarity NPD5248 Approved
0.6061 Remote Similarity NPD5251 Approved
0.6061 Remote Similarity NPD5250 Approved
0.6061 Remote Similarity NPD5249 Phase 3
0.6042 Remote Similarity NPD7260 Phase 2
0.6034 Remote Similarity NPD1779 Approved
0.6034 Remote Similarity NPD1780 Approved
0.6031 Remote Similarity NPD5128 Approved
0.6017 Remote Similarity NPD4786 Approved
0.6014 Remote Similarity NPD6333 Approved
0.6014 Remote Similarity NPD6334 Approved
0.6013 Remote Similarity NPD7625 Phase 1
0.6 Remote Similarity NPD8338 Approved
0.5985 Remote Similarity NPD7641 Discontinued
0.5983 Remote Similarity NPD3667 Approved
0.5968 Remote Similarity NPD5282 Discontinued
0.5956 Remote Similarity NPD6940 Discontinued

Structure

External Identifiers

PubChem CID   21633819
ChEMBL   CHEMBL2087222
ZINC  

Physicochemical Properties

Molecular Weight:  1120.57
ALogP:  -5.5376
MLogP:  4.76
XLogP:  2.774
# Rotatable Bonds:  35
Polar Surface Area:  394.36
# H-Bond Aceptor:  24
# H-Bond Donor:  15
# Rings:  9
# Heavy Atoms:  78

Download Data

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