Natural Product: NPC119562

Natural Product ID:  NPC119562
Common Name:   Garcihombronane I
IUPAC Name:   (E,6R)-6-[(3S,5S,8S,9R,10S,14S,17S)-3,9-dihydroxy-4,4,10,14,17-pentamethyl-1,2,3,5,6,7,8,11,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Synonyms:   Garcihombronane I
Molecular Formula:   C30H48O4
Standard InCHIKey:  GBEVCPIJOYQRAL-HEGPDJCKSA-N
Standard InCHI:  InChI=1S/C30H48O4/c1-19(25(32)33)9-8-10-20(2)27(5)17-18-28(6)22(27)13-16-30(34)23(28)12-11-21-26(3,4)24(31)14-15-29(21,30)7/h9,13,20-21,23-24,31,34H,8,10-12,14-18H2,1-7H3,(H,32,33)/b19-9+/t20-,21+,23+,24+,27+,28-,29+,30-/m1/s1
Canonical SMILES:  C/C(=CCC[C@H]([C@]1(C)CC[C@@]2(C1=CC[C@]1([C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)O)C)C)/C(=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
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota Leaves PMID[16124765]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128 ug/ml 24673739

  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 NPC119562 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 NPC279410
0.9667 High Similarity NPC99726
0.9318 High Similarity NPC146554
0.9318 High Similarity NPC262858
0.9318 High Similarity NPC472240
0.914 High Similarity NPC218107
0.9121 High Similarity NPC476186
0.9101 High Similarity NPC314727
0.9011 High Similarity NPC214697
0.9011 High Similarity NPC476304
0.9011 High Similarity NPC38232
0.8901 High Similarity NPC110923
0.8901 High Similarity NPC212948
0.8901 High Similarity NPC74296
0.883 High Similarity NPC108078
0.883 High Similarity NPC141401
0.883 High Similarity NPC320306
0.8764 High Similarity NPC261266
0.8764 High Similarity NPC6391
0.8736 High Similarity NPC2524
0.8723 High Similarity NPC54248
0.8723 High Similarity NPC276103
0.8723 High Similarity NPC195366
0.8723 High Similarity NPC114743
0.871 High Similarity NPC474922
0.866 High Similarity NPC293753
0.8646 High Similarity NPC327431
0.8646 High Similarity NPC470074
0.8621 High Similarity NPC159148
0.8617 High Similarity NPC271195
0.8571 High Similarity NPC85742
0.8556 High Similarity NPC474970
0.8556 High Similarity NPC475069
0.8556 High Similarity NPC175145
0.8542 High Similarity NPC114274
0.8526 High Similarity NPC190713
0.8511 High Similarity NPC57117
0.8506 High Similarity NPC281880
0.85 High Similarity NPC472925
0.8495 Intermediate Similarity NPC234335
0.8469 Intermediate Similarity NPC136289
0.8469 Intermediate Similarity NPC234892
0.8454 Intermediate Similarity NPC154072
0.8454 Intermediate Similarity NPC251680
0.8444 Intermediate Similarity NPC109528
0.8438 Intermediate Similarity NPC253826
0.8427 Intermediate Similarity NPC476927
0.8427 Intermediate Similarity NPC79945
0.8421 Intermediate Similarity NPC276110
0.8409 Intermediate Similarity NPC209620
0.8409 Intermediate Similarity NPC23852
0.84 Intermediate Similarity NPC323834
0.8387 Intermediate Similarity NPC48010
0.8387 Intermediate Similarity NPC469400
0.8387 Intermediate Similarity NPC295668
0.8387 Intermediate Similarity NPC78973
0.8384 Intermediate Similarity NPC297617
0.8384 Intermediate Similarity NPC95899
0.8384 Intermediate Similarity NPC249187
0.8384 Intermediate Similarity NPC247957
0.8384 Intermediate Similarity NPC478057
0.837 Intermediate Similarity NPC104560
0.837 Intermediate Similarity NPC474668
0.8367 Intermediate Similarity NPC295110
0.8367 Intermediate Similarity NPC247701
0.8367 Intermediate Similarity NPC81530
0.8367 Intermediate Similarity NPC25177
0.8367 Intermediate Similarity NPC472924
0.8367 Intermediate Similarity NPC222875
0.8367 Intermediate Similarity NPC268829
0.8352 Intermediate Similarity NPC152808
0.8352 Intermediate Similarity NPC293287
0.8351 Intermediate Similarity NPC103051
0.8351 Intermediate Similarity NPC478056
0.8333 Intermediate Similarity NPC301534
0.8333 Intermediate Similarity NPC302360
0.8333 Intermediate Similarity NPC472941
0.8333 Intermediate Similarity NPC33913
0.8333 Intermediate Similarity NPC456
0.8333 Intermediate Similarity NPC7124
0.8333 Intermediate Similarity NPC250757
0.8333 Intermediate Similarity NPC205845
0.8333 Intermediate Similarity NPC472265
0.8316 Intermediate Similarity NPC8993
0.8316 Intermediate Similarity NPC470957
0.8316 Intermediate Similarity NPC196485
0.8316 Intermediate Similarity NPC245972
0.8316 Intermediate Similarity NPC469406
0.8316 Intermediate Similarity NPC105490
0.8316 Intermediate Similarity NPC470958
0.8315 Intermediate Similarity NPC49964
0.8315 Intermediate Similarity NPC101462
0.8315 Intermediate Similarity NPC256112
0.8315 Intermediate Similarity NPC50964
0.83 Intermediate Similarity NPC72255
0.83 Intermediate Similarity NPC473543
0.8298 Intermediate Similarity NPC97404
0.8298 Intermediate Similarity NPC233116
0.8298 Intermediate Similarity NPC475806
0.8298 Intermediate Similarity NPC473998
0.8298 Intermediate Similarity NPC41554
0.8298 Intermediate Similarity NPC177641
0.8298 Intermediate Similarity NPC473675
0.8283 Intermediate Similarity NPC109195
0.8283 Intermediate Similarity NPC475038
0.828 Intermediate Similarity NPC16265
0.828 Intermediate Similarity NPC475921
0.828 Intermediate Similarity NPC309603
0.828 Intermediate Similarity NPC470361
0.828 Intermediate Similarity NPC474704
0.828 Intermediate Similarity NPC170633
0.828 Intermediate Similarity NPC473999
0.8265 Intermediate Similarity NPC38855
0.8261 Intermediate Similarity NPC474684
0.8261 Intermediate Similarity NPC142361
0.8247 Intermediate Similarity NPC122294
0.8242 Intermediate Similarity NPC470360
0.8235 Intermediate Similarity NPC472218
0.8235 Intermediate Similarity NPC472217
0.8235 Intermediate Similarity NPC472219
0.8229 Intermediate Similarity NPC318282
0.8229 Intermediate Similarity NPC476174
0.8229 Intermediate Similarity NPC174948
0.8229 Intermediate Similarity NPC469995
0.8229 Intermediate Similarity NPC53565
0.8229 Intermediate Similarity NPC279974
0.8229 Intermediate Similarity NPC266899
0.8229 Intermediate Similarity NPC173875
0.8222 Intermediate Similarity NPC57370
0.8222 Intermediate Similarity NPC474634
0.8218 Intermediate Similarity NPC119855
0.8218 Intermediate Similarity NPC257353
0.8218 Intermediate Similarity NPC220217
0.8218 Intermediate Similarity NPC149047
0.8211 Intermediate Similarity NPC7349
0.8202 Intermediate Similarity NPC264245
0.8202 Intermediate Similarity NPC476646
0.8202 Intermediate Similarity NPC170303
0.82 Intermediate Similarity NPC97487
0.82 Intermediate Similarity NPC160583
0.82 Intermediate Similarity NPC189588
0.82 Intermediate Similarity NPC10232
0.82 Intermediate Similarity NPC187302
0.82 Intermediate Similarity NPC196471
0.82 Intermediate Similarity NPC112009
0.82 Intermediate Similarity NPC36688
0.82 Intermediate Similarity NPC473523
0.8191 Intermediate Similarity NPC280149
0.8191 Intermediate Similarity NPC11216
0.8191 Intermediate Similarity NPC291484
0.8191 Intermediate Similarity NPC221111
0.8191 Intermediate Similarity NPC329596
0.8191 Intermediate Similarity NPC204188
0.8191 Intermediate Similarity NPC3345
0.8191 Intermediate Similarity NPC80561
0.8182 Intermediate Similarity NPC143182
0.8182 Intermediate Similarity NPC81306
0.8182 Intermediate Similarity NPC163372
0.8182 Intermediate Similarity NPC302537
0.8182 Intermediate Similarity NPC28862
0.8182 Intermediate Similarity NPC47982
0.8182 Intermediate Similarity NPC471412
0.8182 Intermediate Similarity NPC30986
0.8182 Intermediate Similarity NPC475617
0.8182 Intermediate Similarity NPC282524
0.8182 Intermediate Similarity NPC109546
0.8182 Intermediate Similarity NPC84694
0.8182 Intermediate Similarity NPC209430
0.8173 Intermediate Similarity NPC255401
0.8173 Intermediate Similarity NPC470076
0.8173 Intermediate Similarity NPC472928
0.8173 Intermediate Similarity NPC284162
0.8172 Intermediate Similarity NPC229612
0.8172 Intermediate Similarity NPC291665
0.8172 Intermediate Similarity NPC133588
0.8172 Intermediate Similarity NPC7280
0.8172 Intermediate Similarity NPC242864
0.8172 Intermediate Similarity NPC48107
0.8163 Intermediate Similarity NPC275086
0.8163 Intermediate Similarity NPC477854
0.8163 Intermediate Similarity NPC235464
0.8163 Intermediate Similarity NPC197386
0.8163 Intermediate Similarity NPC325229
0.8163 Intermediate Similarity NPC92275
0.8163 Intermediate Similarity NPC166745
0.8163 Intermediate Similarity NPC16021
0.8161 Intermediate Similarity NPC132542
0.8152 Intermediate Similarity NPC82979
0.8152 Intermediate Similarity NPC472986
0.8152 Intermediate Similarity NPC73038
0.8152 Intermediate Similarity NPC155011
0.8152 Intermediate Similarity NPC472985
0.8152 Intermediate Similarity NPC299068
0.8152 Intermediate Similarity NPC473226
0.8144 Intermediate Similarity NPC249954
0.8144 Intermediate Similarity NPC253115
0.8144 Intermediate Similarity NPC328371
0.8144 Intermediate Similarity NPC304899
0.8144 Intermediate Similarity NPC173272
0.8144 Intermediate Similarity NPC477853

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119562 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
0.8454 Intermediate Similarity NPD7640 Approved
0.8454 Intermediate Similarity NPD7639 Approved
0.8351 Intermediate Similarity NPD7638 Approved
0.7917 Intermediate Similarity NPD7515 Phase 2
0.7917 Intermediate Similarity NPD6079 Approved
0.7895 Intermediate Similarity NPD5328 Approved
0.7889 Intermediate Similarity NPD7525 Registered
0.7872 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD4225 Approved
0.7798 Intermediate Similarity NPD7115 Discovery
0.7766 Intermediate Similarity NPD3618 Phase 1
0.7745 Intermediate Similarity NPD7632 Discontinued
0.7745 Intermediate Similarity NPD5211 Phase 2
0.7742 Intermediate Similarity NPD4786 Approved
0.7727 Intermediate Similarity NPD7339 Approved
0.7727 Intermediate Similarity NPD6942 Approved
0.7714 Intermediate Similarity NPD6899 Approved
0.7714 Intermediate Similarity NPD6881 Approved
0.7692 Intermediate Similarity NPD6675 Approved
0.7692 Intermediate Similarity NPD6402 Approved
0.7692 Intermediate Similarity NPD7128 Approved
0.7692 Intermediate Similarity NPD5739 Approved
0.7653 Intermediate Similarity NPD6399 Phase 3
0.7653 Intermediate Similarity NPD4202 Approved
0.7619 Intermediate Similarity NPD5697 Approved
0.76 Intermediate Similarity NPD5222 Approved
0.76 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5221 Approved
0.7596 Intermediate Similarity NPD5141 Approved
0.7576 Intermediate Similarity NPD7748 Approved
0.757 Intermediate Similarity NPD6883 Approved
0.757 Intermediate Similarity NPD7102 Approved
0.757 Intermediate Similarity NPD7290 Approved
0.7551 Intermediate Similarity NPD7637 Suspended
0.7549 Intermediate Similarity NPD4696 Approved
0.7549 Intermediate Similarity NPD5285 Approved
0.7549 Intermediate Similarity NPD5286 Approved
0.7547 Intermediate Similarity NPD6011 Approved
0.7547 Intermediate Similarity NPD7320 Approved
0.7527 Intermediate Similarity NPD3667 Approved
0.7525 Intermediate Similarity NPD6084 Phase 2
0.7525 Intermediate Similarity NPD6083 Phase 2
0.7525 Intermediate Similarity NPD4755 Approved
0.7525 Intermediate Similarity NPD5173 Approved
0.7523 Intermediate Similarity NPD4632 Approved
0.75 Intermediate Similarity NPD6649 Approved
0.75 Intermediate Similarity NPD6847 Approved
0.75 Intermediate Similarity NPD6869 Approved
0.75 Intermediate Similarity NPD6931 Approved
0.75 Intermediate Similarity NPD6650 Approved
0.75 Intermediate Similarity NPD8130 Phase 1
0.75 Intermediate Similarity NPD6617 Approved
0.75 Intermediate Similarity NPD6930 Phase 2
0.7477 Intermediate Similarity NPD6012 Approved
0.7477 Intermediate Similarity NPD6014 Approved
0.7477 Intermediate Similarity NPD6013 Approved
0.7477 Intermediate Similarity NPD6373 Approved
0.7477 Intermediate Similarity NPD6372 Approved
0.7476 Intermediate Similarity NPD5223 Approved
0.7474 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD5701 Approved
0.7447 Intermediate Similarity NPD6695 Phase 3
0.7444 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD8297 Approved
0.7431 Intermediate Similarity NPD6882 Approved
0.7426 Intermediate Similarity NPD4697 Phase 3
0.7404 Intermediate Similarity NPD5225 Approved
0.7404 Intermediate Similarity NPD5226 Approved
0.7404 Intermediate Similarity NPD5224 Approved
0.7404 Intermediate Similarity NPD4633 Approved
0.7391 Intermediate Similarity NPD4195 Approved
0.7391 Intermediate Similarity NPD6929 Approved
0.7379 Intermediate Similarity NPD4700 Approved
0.7368 Intermediate Similarity NPD3665 Phase 1
0.7368 Intermediate Similarity NPD3666 Approved
0.7368 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD3133 Approved
0.7358 Intermediate Similarity NPD6008 Approved
0.7353 Intermediate Similarity NPD7902 Approved
0.7347 Intermediate Similarity NPD6051 Approved
0.7347 Intermediate Similarity NPD4753 Phase 2
0.7339 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5174 Approved
0.7333 Intermediate Similarity NPD5175 Approved
0.7321 Intermediate Similarity NPD6009 Approved
0.7312 Intermediate Similarity NPD7514 Phase 3
0.7257 Intermediate Similarity NPD7327 Approved
0.7257 Intermediate Similarity NPD7328 Approved
0.7248 Intermediate Similarity NPD4634 Approved
0.7245 Intermediate Similarity NPD6672 Approved
0.7245 Intermediate Similarity NPD5737 Approved
0.7222 Intermediate Similarity NPD6926 Approved
0.7222 Intermediate Similarity NPD6924 Approved
0.7217 Intermediate Similarity NPD8033 Approved
0.7217 Intermediate Similarity NPD7503 Approved
0.7216 Intermediate Similarity NPD6409 Approved
0.7216 Intermediate Similarity NPD6684 Approved
0.7216 Intermediate Similarity NPD7146 Approved
0.7216 Intermediate Similarity NPD5330 Approved
0.7216 Intermediate Similarity NPD7521 Approved
0.7216 Intermediate Similarity NPD7334 Approved
0.7216 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD7645 Phase 2
0.7193 Intermediate Similarity NPD7516 Approved
0.7174 Intermediate Similarity NPD5776 Phase 2
0.7174 Intermediate Similarity NPD6925 Approved
0.717 Intermediate Similarity NPD4754 Approved
0.7158 Intermediate Similarity NPD4223 Phase 3
0.7158 Intermediate Similarity NPD4221 Approved
0.7157 Intermediate Similarity NPD5210 Approved
0.7157 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD5695 Phase 3
0.7157 Intermediate Similarity NPD4629 Approved
0.7156 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5344 Discontinued
0.7143 Intermediate Similarity NPD7750 Discontinued
0.7143 Intermediate Similarity NPD7524 Approved
0.713 Intermediate Similarity NPD6319 Approved
0.713 Intermediate Similarity NPD8377 Approved
0.713 Intermediate Similarity NPD8294 Approved
0.7128 Intermediate Similarity NPD7332 Phase 2
0.7115 Intermediate Similarity NPD5696 Approved
0.7113 Intermediate Similarity NPD6893 Approved
0.7113 Intermediate Similarity NPD5329 Approved
0.7105 Intermediate Similarity NPD6335 Approved
0.7097 Intermediate Similarity NPD7145 Approved
0.7097 Intermediate Similarity NPD6115 Approved
0.7097 Intermediate Similarity NPD6118 Approved
0.7097 Intermediate Similarity NPD6114 Approved
0.7097 Intermediate Similarity NPD6697 Approved
0.7094 Intermediate Similarity NPD7604 Phase 2
0.708 Intermediate Similarity NPD6274 Approved
0.708 Intermediate Similarity NPD6868 Approved
0.7071 Intermediate Similarity NPD6903 Approved
0.7071 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD8378 Approved
0.7069 Intermediate Similarity NPD8379 Approved
0.7069 Intermediate Similarity NPD8296 Approved
0.7069 Intermediate Similarity NPD5983 Phase 2
0.7069 Intermediate Similarity NPD8335 Approved
0.7069 Intermediate Similarity NPD8380 Approved
0.7065 Intermediate Similarity NPD6933 Approved
0.7064 Intermediate Similarity NPD4730 Approved
0.7064 Intermediate Similarity NPD4729 Approved
0.7064 Intermediate Similarity NPD6686 Approved
0.7064 Intermediate Similarity NPD5128 Approved
0.7059 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7900 Approved
0.7053 Intermediate Similarity NPD6902 Approved
0.7043 Intermediate Similarity NPD7101 Approved
0.7043 Intermediate Similarity NPD7100 Approved
0.7041 Intermediate Similarity NPD5279 Phase 3
0.7041 Intermediate Similarity NPD4623 Approved
0.7041 Intermediate Similarity NPD4519 Discontinued
0.7037 Intermediate Similarity NPD4767 Approved
0.7037 Intermediate Similarity NPD4768 Approved
0.7034 Intermediate Similarity NPD7492 Approved
0.7033 Intermediate Similarity NPD4784 Approved
0.7033 Intermediate Similarity NPD4785 Approved
0.703 Intermediate Similarity NPD5284 Approved
0.703 Intermediate Similarity NPD8035 Phase 2
0.703 Intermediate Similarity NPD8034 Phase 2
0.703 Intermediate Similarity NPD5281 Approved
0.7018 Intermediate Similarity NPD6317 Approved
0.701 Intermediate Similarity NPD3668 Phase 3
0.701 Intermediate Similarity NPD4197 Approved
0.7 Intermediate Similarity NPD6904 Approved
0.7 Intermediate Similarity NPD6673 Approved
0.7 Intermediate Similarity NPD6080 Approved
0.7 Intermediate Similarity NPD4243 Approved
0.6989 Remote Similarity NPD6932 Approved
0.6983 Remote Similarity NPD6054 Approved
0.6979 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7507 Approved
0.6975 Remote Similarity NPD6616 Approved
0.6975 Remote Similarity NPD6336 Discontinued
0.697 Remote Similarity NPD3573 Approved
0.6964 Remote Similarity NPD6053 Discontinued
0.6961 Remote Similarity NPD5778 Approved
0.6961 Remote Similarity NPD5779 Approved
0.6957 Remote Similarity NPD8264 Approved
0.6957 Remote Similarity NPD6313 Approved
0.6957 Remote Similarity NPD6314 Approved
0.6952 Remote Similarity NPD5290 Discontinued
0.6947 Remote Similarity NPD4695 Discontinued
0.6947 Remote Similarity NPD4748 Discontinued
0.6939 Remote Similarity NPD1696 Phase 3
0.6937 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5250 Approved
0.6937 Remote Similarity NPD5169 Approved
0.6937 Remote Similarity NPD5247 Approved
0.6937 Remote Similarity NPD5135 Approved
0.6937 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5251 Approved
0.6937 Remote Similarity NPD5248 Approved
0.6937 Remote Similarity NPD5249 Phase 3
0.6917 Remote Similarity NPD7078 Approved
0.6915 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6915 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5168 Approved

Structure

External Identifiers

PubChem CID   44559183
ChEMBL   CHEMBL470246
ZINC  

Physicochemical Properties

Molecular Weight:  472.36
ALogP:  2.3737
MLogP:  4.32
XLogP:  6.708
# Rotatable Bonds:  15
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  34

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs