Natural Product: NPC476234

Natural Product ID:  NPC476234
Common Name:   Garcimultiflorone C
IUPAC Name:  
Synonyms:   Garcimultiflorone C
Molecular Formula:   C38H52O7
Standard InCHIKey:  OJQJSWYYBRLADU-XCMHKJNISA-N
Standard InCHI:  InChI=1S/C38H52O7/c1-22(2)16-17-25(23(3)4)19-36-20-26-18-27(34(7,8)44)38(31(36)42,29(40)24-14-12-11-13-15-24)32(43)37(30(36)41,33(26,5)6)21-28(39)35(9,10)45/h11-16,25-28,39,44-45H,3,17-21H2,1-2,4-10H3/t25-,26+,27-,28?,36-,37+,38-/m0/s1
Canonical SMILES:  CC(=CC[C@H](C(=C)C)C[C@@]12C[C@H]3C[C@H]([C@@](C1=O)(C(=O)c1ccccc1)C(=O)[C@@](C2=O)(C3(C)C)CC(C(O)(C)C)O)C(O)(C)C)C
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
NPO33077 garcinina multiflora Species NA NA fruits PMID[19203247]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 7210 nM 12350149
NPT2 Others Unspecified IC50 = 12100 nM 22206869

  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 NPC476234 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
0.9083 High Similarity NPC472681
0.906 High Similarity NPC472698
0.906 High Similarity NPC472697
0.8908 High Similarity NPC472679
0.8908 High Similarity NPC472680
0.888 High Similarity NPC471334
0.879 High Similarity NPC316553
0.8699 High Similarity NPC472693
0.8699 High Similarity NPC472694
0.8699 High Similarity NPC478108
0.8632 High Similarity NPC130591
0.8632 High Similarity NPC234637
0.8629 High Similarity NPC294050
0.8629 High Similarity NPC328997
0.856 High Similarity NPC146239
0.8559 High Similarity NPC215419
0.8547 High Similarity NPC471481
0.8534 High Similarity NPC265513
0.8462 Intermediate Similarity NPC218855
0.832 Intermediate Similarity NPC325740
0.8308 Intermediate Similarity NPC144257
0.8295 Intermediate Similarity NPC472692
0.8295 Intermediate Similarity NPC472682
0.8235 Intermediate Similarity NPC93287
0.8211 Intermediate Similarity NPC202015
0.8197 Intermediate Similarity NPC61651
0.8197 Intermediate Similarity NPC268930
0.8125 Intermediate Similarity NPC470648
0.812 Intermediate Similarity NPC472683
0.812 Intermediate Similarity NPC472701
0.812 Intermediate Similarity NPC472696
0.812 Intermediate Similarity NPC472695
0.8087 Intermediate Similarity NPC472691
0.8087 Intermediate Similarity NPC471829
0.8087 Intermediate Similarity NPC475939
0.8087 Intermediate Similarity NPC474866
0.8083 Intermediate Similarity NPC470253
0.8065 Intermediate Similarity NPC476645
0.8062 Intermediate Similarity NPC472678
0.8049 Intermediate Similarity NPC323440
0.8049 Intermediate Similarity NPC222968
0.8049 Intermediate Similarity NPC80605
0.8034 Intermediate Similarity NPC472700
0.8034 Intermediate Similarity NPC472699
0.8033 Intermediate Similarity NPC260886
0.8031 Intermediate Similarity NPC85511
0.8017 Intermediate Similarity NPC294458
0.8017 Intermediate Similarity NPC471721
0.8016 Intermediate Similarity NPC269923
0.8016 Intermediate Similarity NPC167323
0.8 Intermediate Similarity NPC280789
0.7937 Intermediate Similarity NPC472981
0.7923 Intermediate Similarity NPC51448
0.7923 Intermediate Similarity NPC115797
0.7891 Intermediate Similarity NPC328107
0.7857 Intermediate Similarity NPC469854
0.7857 Intermediate Similarity NPC469856
0.7842 Intermediate Similarity NPC471971
0.7842 Intermediate Similarity NPC469855
0.7842 Intermediate Similarity NPC30846
0.7842 Intermediate Similarity NPC471972
0.784 Intermediate Similarity NPC318173
0.7797 Intermediate Similarity NPC471186
0.7778 Intermediate Similarity NPC247976
0.7746 Intermediate Similarity NPC471970
0.7731 Intermediate Similarity NPC100767
0.7717 Intermediate Similarity NPC476225
0.7698 Intermediate Similarity NPC473527
0.7681 Intermediate Similarity NPC471974
0.7681 Intermediate Similarity NPC469680
0.7681 Intermediate Similarity NPC469681
0.7669 Intermediate Similarity NPC25736
0.7669 Intermediate Similarity NPC262819
0.7661 Intermediate Similarity NPC217111
0.7647 Intermediate Similarity NPC477896
0.7642 Intermediate Similarity NPC143768
0.7634 Intermediate Similarity NPC478107
0.7634 Intermediate Similarity NPC470649
0.7626 Intermediate Similarity NPC294330
0.7615 Intermediate Similarity NPC318067
0.7603 Intermediate Similarity NPC470252
0.7583 Intermediate Similarity NPC475905
0.7583 Intermediate Similarity NPC25385
0.7583 Intermediate Similarity NPC193640
0.7578 Intermediate Similarity NPC105709
0.7576 Intermediate Similarity NPC190849
0.7576 Intermediate Similarity NPC470753
0.7576 Intermediate Similarity NPC473220
0.7576 Intermediate Similarity NPC474106
0.7576 Intermediate Similarity NPC171007
0.7576 Intermediate Similarity NPC169913
0.7574 Intermediate Similarity NPC126516
0.7574 Intermediate Similarity NPC329913
0.7574 Intermediate Similarity NPC203486
0.7563 Intermediate Similarity NPC329282
0.7561 Intermediate Similarity NPC471189
0.7561 Intermediate Similarity NPC292834
0.7561 Intermediate Similarity NPC471188
0.7554 Intermediate Similarity NPC165191
0.7554 Intermediate Similarity NPC51531
0.7554 Intermediate Similarity NPC469857
0.7554 Intermediate Similarity NPC28592
0.7554 Intermediate Similarity NPC5014
0.7554 Intermediate Similarity NPC149773
0.7554 Intermediate Similarity NPC477849
0.7554 Intermediate Similarity NPC157284
0.7554 Intermediate Similarity NPC50615
0.7554 Intermediate Similarity NPC114333
0.7554 Intermediate Similarity NPC473779
0.7554 Intermediate Similarity NPC23667
0.7554 Intermediate Similarity NPC91887
0.7554 Intermediate Similarity NPC42384
0.7554 Intermediate Similarity NPC297797
0.7554 Intermediate Similarity NPC245760
0.7554 Intermediate Similarity NPC46242
0.7554 Intermediate Similarity NPC473479
0.7554 Intermediate Similarity NPC289358
0.754 Intermediate Similarity NPC212891
0.754 Intermediate Similarity NPC469843
0.7537 Intermediate Similarity NPC473443
0.7521 Intermediate Similarity NPC470007
0.7521 Intermediate Similarity NPC54647
0.7518 Intermediate Similarity NPC477893
0.7517 Intermediate Similarity NPC132810
0.75 Intermediate Similarity NPC275576
0.75 Intermediate Similarity NPC470765
0.7482 Intermediate Similarity NPC475957
0.7481 Intermediate Similarity NPC12881
0.7481 Intermediate Similarity NPC140118
0.7463 Intermediate Similarity NPC225103
0.746 Intermediate Similarity NPC9274
0.7459 Intermediate Similarity NPC475282
0.7458 Intermediate Similarity NPC109514
0.7448 Intermediate Similarity NPC7095
0.7447 Intermediate Similarity NPC182869
0.7444 Intermediate Similarity NPC473423
0.7444 Intermediate Similarity NPC48992
0.744 Intermediate Similarity NPC196673
0.7438 Intermediate Similarity NPC142326
0.7438 Intermediate Similarity NPC94751
0.7438 Intermediate Similarity NPC85560
0.7438 Intermediate Similarity NPC244933
0.7436 Intermediate Similarity NPC317280
0.7436 Intermediate Similarity NPC329387
0.7429 Intermediate Similarity NPC473440
0.7426 Intermediate Similarity NPC209851
0.7414 Intermediate Similarity NPC219573
0.7414 Intermediate Similarity NPC185208
0.7413 Intermediate Similarity NPC127857
0.741 Intermediate Similarity NPC7464
0.7407 Intermediate Similarity NPC475138
0.7407 Intermediate Similarity NPC471832
0.7407 Intermediate Similarity NPC472388
0.7397 Intermediate Similarity NPC46549
0.7397 Intermediate Similarity NPC264229
0.7394 Intermediate Similarity NPC95449
0.7394 Intermediate Similarity NPC477894
0.7391 Intermediate Similarity NPC474659
0.7391 Intermediate Similarity NPC23894
0.7391 Intermediate Similarity NPC202225
0.7388 Intermediate Similarity NPC478165
0.7388 Intermediate Similarity NPC478162
0.7379 Intermediate Similarity NPC60509
0.7379 Intermediate Similarity NPC81698
0.7379 Intermediate Similarity NPC273798
0.7379 Intermediate Similarity NPC250046
0.7377 Intermediate Similarity NPC112903
0.7361 Intermediate Similarity NPC294679
0.7361 Intermediate Similarity NPC144247
0.7361 Intermediate Similarity NPC145301
0.7361 Intermediate Similarity NPC8493
0.7361 Intermediate Similarity NPC469375
0.736 Intermediate Similarity NPC477475
0.736 Intermediate Similarity NPC477476
0.7357 Intermediate Similarity NPC118366
0.735 Intermediate Similarity NPC240042
0.735 Intermediate Similarity NPC239185
0.7344 Intermediate Similarity NPC94425
0.7344 Intermediate Similarity NPC152812
0.7339 Intermediate Similarity NPC474057
0.7333 Intermediate Similarity NPC329556
0.7329 Intermediate Similarity NPC112216
0.7329 Intermediate Similarity NPC161239
0.7329 Intermediate Similarity NPC165260
0.7329 Intermediate Similarity NPC198455
0.7328 Intermediate Similarity NPC369
0.7328 Intermediate Similarity NPC293831
0.7313 Intermediate Similarity NPC81135
0.7311 Intermediate Similarity NPC128248
0.7311 Intermediate Similarity NPC133809
0.7311 Intermediate Similarity NPC476993
0.7311 Intermediate Similarity NPC225079
0.7311 Intermediate Similarity NPC136810
0.7308 Intermediate Similarity NPC474222
0.7308 Intermediate Similarity NPC475804
0.7308 Intermediate Similarity NPC475827
0.7308 Intermediate Similarity NPC474223
0.7305 Intermediate Similarity NPC275592
0.7305 Intermediate Similarity NPC100913
0.7304 Intermediate Similarity NPC59677

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476234 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
0.8376 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD7610 Discontinued
0.7556 Intermediate Similarity NPD7961 Discontinued
0.7422 Intermediate Similarity NPD7009 Phase 2
0.736 Intermediate Similarity NPD7094 Approved
0.736 Intermediate Similarity NPD6858 Approved
0.735 Intermediate Similarity NPD3495 Discontinued
0.7333 Intermediate Similarity NPD1930 Approved
0.7333 Intermediate Similarity NPD1929 Approved
0.7333 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD1932 Approved
0.7244 Intermediate Similarity NPD5951 Approved
0.7227 Intermediate Similarity NPD2066 Phase 3
0.7177 Intermediate Similarity NPD2329 Discontinued
0.7172 Intermediate Similarity NPD7236 Approved
0.7155 Intermediate Similarity NPD7631 Approved
0.7094 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD7609 Phase 3
0.7045 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.6992 Remote Similarity NPD1237 Approved
0.6977 Remote Similarity NPD2629 Approved
0.6933 Remote Similarity NPD7239 Suspended
0.6923 Remote Similarity NPD3317 Approved
0.6917 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6911 Remote Similarity NPD6647 Phase 2
0.6906 Remote Similarity NPD7008 Discontinued
0.6879 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6866 Remote Similarity NPD4879 Approved
0.685 Remote Similarity NPD1317 Discontinued
0.6803 Remote Similarity NPD7798 Approved
0.6765 Remote Similarity NPD4878 Approved
0.6763 Remote Similarity NPD7084 Phase 3
0.6744 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6724 Remote Similarity NPD650 Approved
0.6723 Remote Similarity NPD1088 Approved
0.669 Remote Similarity NPD7715 Approved
0.669 Remote Similarity NPD7714 Approved
0.6689 Remote Similarity NPD8166 Discontinued
0.6667 Remote Similarity NPD8165 Discontinued
0.6641 Remote Similarity NPD6010 Discontinued
0.6612 Remote Similarity NPD1693 Approved
0.6599 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6583 Remote Similarity NPD1508 Approved
0.6577 Remote Similarity NPD4628 Phase 3
0.6575 Remote Similarity NPD7305 Phase 1
0.6558 Remote Similarity NPD7458 Discontinued
0.6555 Remote Similarity NPD1086 Approved
0.6555 Remote Similarity NPD1089 Approved
0.6555 Remote Similarity NPD1090 Approved
0.6544 Remote Similarity NPD3019 Approved
0.6544 Remote Similarity NPD2345 Approved
0.6541 Remote Similarity NPD4198 Discontinued
0.6538 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5048 Discontinued
0.6522 Remote Similarity NPD3972 Approved
0.6519 Remote Similarity NPD7058 Phase 2
0.6519 Remote Similarity NPD7741 Discontinued
0.6519 Remote Similarity NPD7057 Phase 3
0.6508 Remote Similarity NPD5765 Approved
0.65 Remote Similarity NPD1470 Approved
0.6491 Remote Similarity NPD942 Approved
0.6484 Remote Similarity NPD6685 Approved
0.6475 Remote Similarity NPD5157 Phase 1
0.6475 Remote Similarity NPD688 Clinical (unspecified phase)
0.6475 Remote Similarity NPD5159 Phase 2
0.6475 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5347 Phase 2
0.6471 Remote Similarity NPD800 Approved
0.6471 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5346 Phase 2
0.6463 Remote Similarity NPD7799 Discontinued
0.6458 Remote Similarity NPD7713 Phase 3
0.6457 Remote Similarity NPD5909 Discontinued
0.6454 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6423 Remote Similarity NPD1843 Approved
0.6423 Remote Similarity NPD2932 Approved
0.6423 Remote Similarity NPD1989 Approved
0.6407 Remote Similarity NPD8368 Discontinued
0.6389 Remote Similarity NPD6766 Clinical (unspecified phase)
0.6385 Remote Similarity NPD2182 Approved
0.6377 Remote Similarity NPD3026 Approved
0.6377 Remote Similarity NPD3023 Approved
0.6371 Remote Similarity NPD1565 Approved
0.6371 Remote Similarity NPD1564 Approved
0.6371 Remote Similarity NPD1566 Phase 3
0.6364 Remote Similarity NPD7055 Discontinued
0.6364 Remote Similarity NPD6079 Approved
0.6364 Remote Similarity NPD6273 Approved
0.6364 Remote Similarity NPD1239 Approved
0.6351 Remote Similarity NPD3299 Clinical (unspecified phase)
0.635 Remote Similarity NPD3024 Approved
0.635 Remote Similarity NPD3025 Approved
0.6345 Remote Similarity NPD6663 Approved
0.6341 Remote Similarity NPD4629 Approved
0.6341 Remote Similarity NPD5210 Approved
0.6331 Remote Similarity NPD1201 Approved
0.6331 Remote Similarity NPD6287 Discontinued
0.632 Remote Similarity NPD9495 Approved
0.6316 Remote Similarity NPD8434 Phase 2
0.6316 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6312 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6304 Remote Similarity NPD4199 Phase 3
0.6303 Remote Similarity NPD1087 Approved
0.6303 Remote Similarity NPD4793 Discontinued
0.6294 Remote Similarity NPD5736 Approved
0.6294 Remote Similarity NPD8407 Phase 2
0.6291 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6637 Approved
0.6281 Remote Similarity NPD3673 Approved
0.6281 Remote Similarity NPD3672 Approved
0.6276 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6269 Remote Similarity NPD4869 Clinical (unspecified phase)
0.625 Remote Similarity NPD5700 Clinical (unspecified phase)
0.625 Remote Similarity NPD5738 Clinical (unspecified phase)
0.625 Remote Similarity NPD8443 Clinical (unspecified phase)
0.625 Remote Similarity NPD7003 Approved
0.6243 Remote Similarity NPD8361 Approved
0.6243 Remote Similarity NPD8435 Approved
0.6243 Remote Similarity NPD8360 Approved
0.6242 Remote Similarity NPD1509 Clinical (unspecified phase)
0.622 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6216 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6214 Remote Similarity NPD4807 Approved
0.6214 Remote Similarity NPD4806 Approved
0.6214 Remote Similarity NPD3092 Approved
0.621 Remote Similarity NPD6049 Phase 2
0.621 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6209 Remote Similarity NPD7295 Approved
0.6207 Remote Similarity NPD226 Approved
0.6204 Remote Similarity NPD6065 Approved
0.6202 Remote Similarity NPD164 Approved
0.6198 Remote Similarity NPD5328 Approved
0.6194 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6187 Remote Similarity NPD5306 Approved
0.6187 Remote Similarity NPD7725 Approved
0.6187 Remote Similarity NPD3095 Discontinued
0.6187 Remote Similarity NPD5305 Approved
0.6169 Remote Similarity NPD3300 Phase 2
0.6164 Remote Similarity NPD3764 Approved
0.616 Remote Similarity NPD5220 Clinical (unspecified phase)
0.616 Remote Similarity NPD5222 Approved
0.616 Remote Similarity NPD5221 Approved
0.6159 Remote Similarity NPD3091 Approved
0.6154 Remote Similarity NPD1018 Approved
0.6154 Remote Similarity NPD3094 Phase 2
0.6142 Remote Similarity NPD5286 Approved
0.6142 Remote Similarity NPD4696 Approved
0.6142 Remote Similarity NPD5285 Approved
0.6133 Remote Similarity NPD2799 Discontinued
0.6131 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6129 Remote Similarity NPD1202 Approved
0.6129 Remote Similarity NPD1563 Approved
0.6127 Remote Similarity NPD8150 Discontinued
0.6121 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6119 Remote Similarity NPD6912 Phase 3
0.6111 Remote Similarity NPD2798 Approved
0.6111 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6111 Remote Similarity NPD5173 Approved
0.6111 Remote Similarity NPD4980 Approved
0.6111 Remote Similarity NPD6085 Phase 2
0.6104 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6103 Remote Similarity NPD690 Clinical (unspecified phase)
0.6102 Remote Similarity NPD9491 Approved
0.6098 Remote Similarity NPD7515 Phase 2
0.6094 Remote Similarity NPD5223 Approved
0.609 Remote Similarity NPD2067 Discontinued
0.6087 Remote Similarity NPD5760 Phase 2
0.6087 Remote Similarity NPD5761 Phase 2
0.6084 Remote Similarity NPD1876 Approved
0.6083 Remote Similarity NPD3618 Phase 1
0.6053 Remote Similarity NPD2346 Discontinued
0.6053 Remote Similarity NPD1471 Phase 3
0.605 Remote Similarity NPD3665 Phase 1
0.605 Remote Similarity NPD3666 Approved
0.605 Remote Similarity NPD3133 Approved
0.6047 Remote Similarity NPD5224 Approved
0.6047 Remote Similarity NPD5211 Phase 2
0.6047 Remote Similarity NPD5225 Approved
0.6047 Remote Similarity NPD4633 Approved
0.6047 Remote Similarity NPD2193 Phase 2
0.6047 Remote Similarity NPD5226 Approved
0.6047 Remote Similarity NPD2648 Phase 3
0.6045 Remote Similarity NPD3642 Approved
0.6045 Remote Similarity NPD3643 Approved
0.6045 Remote Similarity NPD3644 Approved
0.6038 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6038 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6038 Remote Similarity NPD3226 Approved
0.6034 Remote Similarity NPD8485 Approved
0.6032 Remote Similarity NPD4697 Phase 3
0.6029 Remote Similarity NPD2650 Approved
0.6029 Remote Similarity NPD2652 Approved
0.6028 Remote Similarity NPD4136 Approved
0.6028 Remote Similarity NPD4135 Approved
0.6028 Remote Similarity NPD4106 Approved
0.6016 Remote Similarity NPD9256 Approved
0.6016 Remote Similarity NPD1238 Approved

Structure

External Identifiers

PubChem CID   25243330
ChEMBL   CHEMBL556944
ZINC  

Physicochemical Properties

Molecular Weight:  620.37
ALogP:  1.3997
MLogP:  4.87
XLogP:  7.344
# Rotatable Bonds:  23
Polar Surface Area:  128.97
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  45

Download Data

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Structure MOL file  
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Biological Activities  
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