Natural Product: NPC92275

Natural Product ID:  NPC92275
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C31H46O4
Standard InCHIKey:  UHAGUOVAMDBBBA-UMZAAGSZSA-N
Standard InCHI:  InChI=1S/C31H46O4/c1-18(27(33)34-8)15-20-16-19(2)31(7)26(35-20)17-23-21-9-10-24-28(3,4)25(32)12-13-29(24,5)22(21)11-14-30(23,31)6/h15,17,19-20,24-26,32H,9-14,16H2,1-8H3/b18-15+/t19-,20+,24+,25-,26-,29-,30-,31-/m1/s1
Canonical SMILES:  COC(=O)/C(=C/[C@H]1C[C@@H](C)[C@@]2([C@H](O1)C=C1[C@@]2(C)CCC2=C1CC[C@@H]1[C@]2(C)CC[C@H](C1(C)C)O)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
NPO25515 Garcinia speciosa Species Clusiaceae Eukaryota barks PMID[15620248]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens Activity = 2.97 % 18672931
NPT83 Cell Line MCF7 Homo sapiens GI50 = 19200 nM 17323995
NPT395 Cell Line SF-268 Homo sapiens GI50 = 29700 nM 20705370
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 30400 nM 19674906

  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 NPC92275 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
0.9565 High Similarity NPC190713
0.9457 High Similarity NPC474909
0.9053 High Similarity NPC141401
0.9032 High Similarity NPC214697
0.8925 High Similarity NPC212948
0.8632 High Similarity NPC38232
0.8617 High Similarity NPC221111
0.8617 High Similarity NPC280149
0.8571 High Similarity NPC218107
0.8511 High Similarity NPC262858
0.8511 High Similarity NPC472240
0.8438 Intermediate Similarity NPC152778
0.8438 Intermediate Similarity NPC162615
0.8438 Intermediate Similarity NPC205034
0.8421 Intermediate Similarity NPC310479
0.8416 Intermediate Similarity NPC85742
0.8416 Intermediate Similarity NPC171014
0.8384 Intermediate Similarity NPC108368
0.8384 Intermediate Similarity NPC57079
0.8367 Intermediate Similarity NPC16967
0.8351 Intermediate Similarity NPC469406
0.835 Intermediate Similarity NPC43063
0.835 Intermediate Similarity NPC79298
0.8316 Intermediate Similarity NPC146554
0.83 Intermediate Similarity NPC201406
0.8298 Intermediate Similarity NPC475772
0.8283 Intermediate Similarity NPC253826
0.8283 Intermediate Similarity NPC99726
0.828 Intermediate Similarity NPC109528
0.8252 Intermediate Similarity NPC295843
0.8252 Intermediate Similarity NPC266570
0.8252 Intermediate Similarity NPC189863
0.8247 Intermediate Similarity NPC476304
0.8235 Intermediate Similarity NPC112009
0.8235 Intermediate Similarity NPC297617
0.8229 Intermediate Similarity NPC182136
0.8229 Intermediate Similarity NPC78973
0.8218 Intermediate Similarity NPC473160
0.8218 Intermediate Similarity NPC118174
0.8211 Intermediate Similarity NPC24816
0.8208 Intermediate Similarity NPC255401
0.8208 Intermediate Similarity NPC284162
0.8208 Intermediate Similarity NPC474315
0.82 Intermediate Similarity NPC471717
0.82 Intermediate Similarity NPC478056
0.8191 Intermediate Similarity NPC474970
0.8191 Intermediate Similarity NPC131813
0.819 Intermediate Similarity NPC75389
0.8182 Intermediate Similarity NPC473153
0.8182 Intermediate Similarity NPC88009
0.8163 Intermediate Similarity NPC119562
0.8163 Intermediate Similarity NPC474922
0.8163 Intermediate Similarity NPC279410
0.8163 Intermediate Similarity NPC191521
0.8163 Intermediate Similarity NPC476186
0.8163 Intermediate Similarity NPC201725
0.8155 Intermediate Similarity NPC472868
0.8152 Intermediate Similarity NPC256112
0.8144 Intermediate Similarity NPC329842
0.8144 Intermediate Similarity NPC72845
0.8144 Intermediate Similarity NPC74296
0.8144 Intermediate Similarity NPC477574
0.8144 Intermediate Similarity NPC110923
0.8144 Intermediate Similarity NPC234335
0.8137 Intermediate Similarity NPC155332
0.8137 Intermediate Similarity NPC32577
0.8137 Intermediate Similarity NPC258547
0.8137 Intermediate Similarity NPC114540
0.8137 Intermediate Similarity NPC273668
0.8137 Intermediate Similarity NPC283343
0.8125 Intermediate Similarity NPC77168
0.8125 Intermediate Similarity NPC177141
0.8125 Intermediate Similarity NPC84271
0.8125 Intermediate Similarity NPC102414
0.8119 Intermediate Similarity NPC474012
0.8119 Intermediate Similarity NPC476299
0.8119 Intermediate Similarity NPC227865
0.8119 Intermediate Similarity NPC251680
0.8113 Intermediate Similarity NPC103491
0.8113 Intermediate Similarity NPC16270
0.81 Intermediate Similarity NPC210337
0.81 Intermediate Similarity NPC202705
0.81 Intermediate Similarity NPC51499
0.8095 Intermediate Similarity NPC220155
0.8095 Intermediate Similarity NPC137462
0.8095 Intermediate Similarity NPC304276
0.8095 Intermediate Similarity NPC275060
0.8085 Intermediate Similarity NPC474013
0.8081 Intermediate Similarity NPC183012
0.8081 Intermediate Similarity NPC171395
0.8073 Intermediate Similarity NPC476963
0.8061 Intermediate Similarity NPC139692
0.8061 Intermediate Similarity NPC472871
0.8061 Intermediate Similarity NPC27918
0.8058 Intermediate Similarity NPC180204
0.8041 Intermediate Similarity NPC148414
0.8041 Intermediate Similarity NPC273199
0.8041 Intermediate Similarity NPC111585
0.8041 Intermediate Similarity NPC175628
0.8039 Intermediate Similarity NPC222875
0.8039 Intermediate Similarity NPC295110
0.8039 Intermediate Similarity NPC268829
0.8039 Intermediate Similarity NPC247701
0.8039 Intermediate Similarity NPC472637
0.8039 Intermediate Similarity NPC99411
0.8039 Intermediate Similarity NPC25177
0.8037 Intermediate Similarity NPC471484
0.8037 Intermediate Similarity NPC262083
0.802 Intermediate Similarity NPC48647
0.802 Intermediate Similarity NPC235464
0.802 Intermediate Similarity NPC278673
0.802 Intermediate Similarity NPC166745
0.802 Intermediate Similarity NPC474440
0.802 Intermediate Similarity NPC477813
0.802 Intermediate Similarity NPC325229
0.802 Intermediate Similarity NPC275086
0.8 Intermediate Similarity NPC7124
0.8 Intermediate Similarity NPC195366
0.8 Intermediate Similarity NPC114743
0.8 Intermediate Similarity NPC250757
0.8 Intermediate Similarity NPC456
0.8 Intermediate Similarity NPC476959
0.8 Intermediate Similarity NPC91034
0.8 Intermediate Similarity NPC301534
0.8 Intermediate Similarity NPC472941
0.7982 Intermediate Similarity NPC470953
0.798 Intermediate Similarity NPC105490
0.798 Intermediate Similarity NPC471720
0.798 Intermediate Similarity NPC91010
0.798 Intermediate Similarity NPC49670
0.798 Intermediate Similarity NPC57117
0.7979 Intermediate Similarity NPC302360
0.7963 Intermediate Similarity NPC44537
0.7961 Intermediate Similarity NPC469606
0.7961 Intermediate Similarity NPC273005
0.7961 Intermediate Similarity NPC31058
0.7961 Intermediate Similarity NPC293753
0.7959 Intermediate Similarity NPC471453
0.7959 Intermediate Similarity NPC177641
0.7959 Intermediate Similarity NPC26888
0.7957 Intermediate Similarity NPC202389
0.7957 Intermediate Similarity NPC470049
0.7957 Intermediate Similarity NPC471218
0.7946 Intermediate Similarity NPC476962
0.7944 Intermediate Similarity NPC12795
0.7944 Intermediate Similarity NPC29133
0.7941 Intermediate Similarity NPC266955
0.7941 Intermediate Similarity NPC476274
0.7941 Intermediate Similarity NPC474190
0.7941 Intermediate Similarity NPC230546
0.7941 Intermediate Similarity NPC473510
0.7938 Intermediate Similarity NPC314727
0.7938 Intermediate Similarity NPC474396
0.7938 Intermediate Similarity NPC474889
0.7938 Intermediate Similarity NPC5509
0.7938 Intermediate Similarity NPC473647
0.7938 Intermediate Similarity NPC50488
0.7938 Intermediate Similarity NPC16265
0.7925 Intermediate Similarity NPC275539
0.7925 Intermediate Similarity NPC189075
0.7921 Intermediate Similarity NPC132753
0.7921 Intermediate Similarity NPC224356
0.7921 Intermediate Similarity NPC175351
0.7921 Intermediate Similarity NPC476253
0.7921 Intermediate Similarity NPC73911
0.7921 Intermediate Similarity NPC231751
0.7921 Intermediate Similarity NPC151681
0.7921 Intermediate Similarity NPC320306
0.7921 Intermediate Similarity NPC121402
0.7917 Intermediate Similarity NPC233836
0.7917 Intermediate Similarity NPC159046
0.7917 Intermediate Similarity NPC166857
0.7917 Intermediate Similarity NPC187376
0.7912 Intermediate Similarity NPC318136
0.7909 Intermediate Similarity NPC64318
0.7905 Intermediate Similarity NPC218158
0.7905 Intermediate Similarity NPC88349
0.7905 Intermediate Similarity NPC172867
0.7905 Intermediate Similarity NPC469607
0.79 Intermediate Similarity NPC317586
0.79 Intermediate Similarity NPC222845
0.79 Intermediate Similarity NPC45324
0.79 Intermediate Similarity NPC470016
0.79 Intermediate Similarity NPC281134
0.79 Intermediate Similarity NPC139459
0.79 Intermediate Similarity NPC162001
0.79 Intermediate Similarity NPC276110
0.7895 Intermediate Similarity NPC35933
0.789 Intermediate Similarity NPC73050
0.789 Intermediate Similarity NPC171126
0.789 Intermediate Similarity NPC122056
0.7885 Intermediate Similarity NPC10232
0.7885 Intermediate Similarity NPC97487
0.7885 Intermediate Similarity NPC45897
0.7885 Intermediate Similarity NPC189588
0.7885 Intermediate Similarity NPC476889
0.7885 Intermediate Similarity NPC160583
0.7885 Intermediate Similarity NPC476237
0.7885 Intermediate Similarity NPC23584
0.7885 Intermediate Similarity NPC196471

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC92275 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
0.82 Intermediate Similarity NPD7638 Approved
0.8119 Intermediate Similarity NPD7640 Approved
0.8119 Intermediate Similarity NPD7639 Approved
0.7679 Intermediate Similarity NPD7115 Discovery
0.767 Intermediate Similarity NPD4225 Approved
0.7624 Intermediate Similarity NPD7748 Approved
0.76 Intermediate Similarity NPD7515 Phase 2
0.7565 Intermediate Similarity NPD7503 Approved
0.7453 Intermediate Similarity NPD7632 Discontinued
0.7431 Intermediate Similarity NPD6899 Approved
0.7431 Intermediate Similarity NPD6881 Approved
0.7426 Intermediate Similarity NPD6079 Approved
0.7407 Intermediate Similarity NPD7128 Approved
0.7407 Intermediate Similarity NPD6402 Approved
0.7407 Intermediate Similarity NPD5739 Approved
0.7407 Intermediate Similarity NPD6675 Approved
0.7404 Intermediate Similarity NPD7902 Approved
0.74 Intermediate Similarity NPD6051 Approved
0.74 Intermediate Similarity NPD5328 Approved
0.7353 Intermediate Similarity NPD6399 Phase 3
0.7339 Intermediate Similarity NPD5697 Approved
0.7304 Intermediate Similarity NPD7327 Approved
0.7304 Intermediate Similarity NPD7328 Approved
0.7297 Intermediate Similarity NPD7290 Approved
0.7297 Intermediate Similarity NPD7102 Approved
0.7297 Intermediate Similarity NPD6883 Approved
0.7273 Intermediate Similarity NPD6011 Approved
0.7273 Intermediate Similarity NPD3618 Phase 1
0.7273 Intermediate Similarity NPD5279 Phase 3
0.7273 Intermediate Similarity NPD7320 Approved
0.7255 Intermediate Similarity NPD6411 Approved
0.7241 Intermediate Similarity NPD7516 Approved
0.7238 Intermediate Similarity NPD6083 Phase 2
0.7238 Intermediate Similarity NPD6084 Phase 2
0.7232 Intermediate Similarity NPD6617 Approved
0.7232 Intermediate Similarity NPD6869 Approved
0.7232 Intermediate Similarity NPD6650 Approved
0.7232 Intermediate Similarity NPD6847 Approved
0.7232 Intermediate Similarity NPD6649 Approved
0.7232 Intermediate Similarity NPD8130 Phase 1
0.7216 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD5695 Phase 3
0.7207 Intermediate Similarity NPD6372 Approved
0.7207 Intermediate Similarity NPD6373 Approved
0.7207 Intermediate Similarity NPD6013 Approved
0.7207 Intermediate Similarity NPD6012 Approved
0.7207 Intermediate Similarity NPD6014 Approved
0.7188 Intermediate Similarity NPD7525 Registered
0.7182 Intermediate Similarity NPD5701 Approved
0.7179 Intermediate Similarity NPD8377 Approved
0.7179 Intermediate Similarity NPD8294 Approved
0.7172 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD1694 Approved
0.7168 Intermediate Similarity NPD8297 Approved
0.7168 Intermediate Similarity NPD6882 Approved
0.7143 Intermediate Similarity NPD5222 Approved
0.7143 Intermediate Similarity NPD5221 Approved
0.7143 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD5737 Approved
0.7129 Intermediate Similarity NPD6672 Approved
0.7129 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD8378 Approved
0.7119 Intermediate Similarity NPD8296 Approved
0.7119 Intermediate Similarity NPD8380 Approved
0.7119 Intermediate Similarity NPD8335 Approved
0.7119 Intermediate Similarity NPD8033 Approved
0.7119 Intermediate Similarity NPD8379 Approved
0.7117 Intermediate Similarity NPD6686 Approved
0.7115 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7900 Approved
0.71 Intermediate Similarity NPD6684 Approved
0.71 Intermediate Similarity NPD7334 Approved
0.71 Intermediate Similarity NPD7146 Approved
0.71 Intermediate Similarity NPD6409 Approved
0.71 Intermediate Similarity NPD7521 Approved
0.71 Intermediate Similarity NPD5330 Approved
0.7087 Intermediate Similarity NPD7637 Suspended
0.7087 Intermediate Similarity NPD8034 Phase 2
0.7087 Intermediate Similarity NPD5284 Approved
0.7087 Intermediate Similarity NPD5281 Approved
0.7087 Intermediate Similarity NPD8035 Phase 2
0.7087 Intermediate Similarity NPD6050 Approved
0.7083 Intermediate Similarity NPD7645 Phase 2
0.708 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD5173 Approved
0.7071 Intermediate Similarity NPD4786 Approved
0.7059 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6101 Approved
0.703 Intermediate Similarity NPD3573 Approved
0.7025 Intermediate Similarity NPD7507 Approved
0.7021 Intermediate Similarity NPD7339 Approved
0.7021 Intermediate Similarity NPD6942 Approved
0.7019 Intermediate Similarity NPD4202 Approved
0.699 Remote Similarity NPD5692 Phase 3
0.6983 Remote Similarity NPD6868 Approved
0.6981 Remote Similarity NPD4697 Phase 3
0.6972 Remote Similarity NPD5211 Phase 2
0.6961 Remote Similarity NPD6903 Approved
0.6944 Remote Similarity NPD4696 Approved
0.6944 Remote Similarity NPD5285 Approved
0.6944 Remote Similarity NPD6404 Discontinued
0.6944 Remote Similarity NPD5286 Approved
0.6923 Remote Similarity NPD5693 Phase 1
0.6923 Remote Similarity NPD5694 Approved
0.6916 Remote Similarity NPD4755 Approved
0.6903 Remote Similarity NPD4061 Clinical (unspecified phase)
0.69 Remote Similarity NPD3666 Approved
0.69 Remote Similarity NPD6400 Clinical (unspecified phase)
0.69 Remote Similarity NPD3665 Phase 1
0.69 Remote Similarity NPD3133 Approved
0.6893 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6881 Remote Similarity NPD5223 Approved
0.6869 Remote Similarity NPD3667 Approved
0.6864 Remote Similarity NPD6335 Approved
0.6857 Remote Similarity NPD5778 Approved
0.6857 Remote Similarity NPD5779 Approved
0.6855 Remote Similarity NPD7319 Approved
0.6852 Remote Similarity NPD5696 Approved
0.6847 Remote Similarity NPD5141 Approved
0.6842 Remote Similarity NPD8264 Approved
0.6838 Remote Similarity NPD6274 Approved
0.6827 Remote Similarity NPD5207 Approved
0.6818 Remote Similarity NPD5224 Approved
0.6818 Remote Similarity NPD5225 Approved
0.6818 Remote Similarity NPD5226 Approved
0.6818 Remote Similarity NPD4633 Approved
0.681 Remote Similarity NPD4632 Approved
0.6807 Remote Similarity NPD7101 Approved
0.6807 Remote Similarity NPD7100 Approved
0.68 Remote Similarity NPD6695 Phase 3
0.6789 Remote Similarity NPD6648 Approved
0.6789 Remote Similarity NPD4700 Approved
0.678 Remote Similarity NPD6317 Approved
0.6771 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5280 Approved
0.6765 Remote Similarity NPD4694 Approved
0.6757 Remote Similarity NPD5174 Approved
0.6757 Remote Similarity NPD5175 Approved
0.6737 Remote Similarity NPD6926 Approved
0.6737 Remote Similarity NPD6924 Approved
0.6735 Remote Similarity NPD4195 Approved
0.6733 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6731 Remote Similarity NPD6904 Approved
0.6731 Remote Similarity NPD6673 Approved
0.6731 Remote Similarity NPD4753 Phase 2
0.6731 Remote Similarity NPD6080 Approved
0.6727 Remote Similarity NPD5344 Discontinued
0.6726 Remote Similarity NPD6412 Phase 2
0.6724 Remote Similarity NPD6053 Discontinued
0.6723 Remote Similarity NPD6313 Approved
0.6723 Remote Similarity NPD6314 Approved
0.67 Remote Similarity NPD5209 Approved
0.6696 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1696 Phase 3
0.6667 Remote Similarity NPD7509 Discontinued
0.6667 Remote Similarity NPD5785 Approved
0.6667 Remote Similarity NPD7838 Discovery
0.6639 Remote Similarity NPD6009 Approved
0.6637 Remote Similarity NPD6008 Approved
0.6633 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6614 Remote Similarity NPD7260 Phase 2
0.6612 Remote Similarity NPD6319 Approved
0.6607 Remote Similarity NPD4754 Approved
0.6602 Remote Similarity NPD5690 Phase 2
0.6602 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6598 Remote Similarity NPD6933 Approved
0.6585 Remote Similarity NPD7604 Phase 2
0.6574 Remote Similarity NPD5210 Approved
0.6574 Remote Similarity NPD5654 Approved
0.6574 Remote Similarity NPD4629 Approved
0.6566 Remote Similarity NPD6929 Approved
0.6557 Remote Similarity NPD5983 Phase 2
0.6557 Remote Similarity NPD6909 Approved
0.6557 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6557 Remote Similarity NPD6908 Approved
0.6545 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6545 Remote Similarity NPD5290 Discontinued
0.6538 Remote Similarity NPD7750 Discontinued
0.6538 Remote Similarity NPD7524 Approved
0.6538 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6535 Remote Similarity NPD4221 Approved
0.6535 Remote Similarity NPD4223 Phase 3
0.6532 Remote Similarity NPD7492 Approved
0.6526 Remote Similarity NPD7152 Approved
0.6526 Remote Similarity NPD7151 Approved
0.6526 Remote Similarity NPD7150 Approved
0.6522 Remote Similarity NPD4730 Approved
0.6522 Remote Similarity NPD5128 Approved
0.6522 Remote Similarity NPD5168 Approved
0.6522 Remote Similarity NPD4729 Approved
0.6508 Remote Similarity NPD7736 Approved
0.6505 Remote Similarity NPD5329 Approved
0.65 Remote Similarity NPD4748 Discontinued
0.65 Remote Similarity NPD7332 Phase 2
0.65 Remote Similarity NPD8259 Clinical (unspecified phase)
0.65 Remote Similarity NPD6931 Approved
0.65 Remote Similarity NPD6930 Phase 2
0.6495 Remote Similarity NPD8039 Approved

Structure

External Identifiers

PubChem CID   44575713
ChEMBL   CHEMBL484026
ZINC  

Physicochemical Properties

Molecular Weight:  482.34
ALogP:  2.7147
MLogP:  4.43
XLogP:  6.332
# Rotatable Bonds:  12
Polar Surface Area:  55.76
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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