Natural Product: NPC107674

Natural Product ID:  NPC107674
Common Name:   Methyl (25R)-3Beta-Hydroxy-23-Oxo-9,15-Lanostadien-26-Oate
IUPAC Name:   methyl (2R,6R)-6-[(3S,5R,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Synonyms:  
Molecular Formula:   C31H48O4
Standard InCHIKey:  QIMIUNGNQNMMLJ-XUSZUQHOSA-N
Standard InCHI:  InChI=1S/C31H48O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h11-12,19-20,24-26,33H,9-10,13-18H2,1-8H3/t19-,20-,24-,25+,26+,29-,30-,31+/m1/s1
Canonical SMILES:  COC(=O)[C@@H](CC(=O)C[C@H](C1=CC[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)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
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 23398362

  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 NPC107674 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 NPC141497
1.0 High Similarity NPC170220
0.9884 High Similarity NPC110657
0.9884 High Similarity NPC212301
0.9884 High Similarity NPC86266
0.9659 High Similarity NPC49670
0.9659 High Similarity NPC159410
0.9432 High Similarity NPC297265
0.9205 High Similarity NPC474704
0.9205 High Similarity NPC475921
0.9195 High Similarity NPC474684
0.9195 High Similarity NPC142361
0.9111 High Similarity NPC470224
0.9111 High Similarity NPC470376
0.9111 High Similarity NPC470375
0.9101 High Similarity NPC471896
0.908 High Similarity NPC73038
0.9 High Similarity NPC154101
0.9 High Similarity NPC189520
0.8977 High Similarity NPC159046
0.8977 High Similarity NPC233836
0.8977 High Similarity NPC187376
0.8913 High Similarity NPC469599
0.8913 High Similarity NPC139459
0.8889 High Similarity NPC175628
0.8889 High Similarity NPC111585
0.8889 High Similarity NPC291028
0.8889 High Similarity NPC148414
0.8876 High Similarity NPC242864
0.8864 High Similarity NPC325594
0.8864 High Similarity NPC155011
0.8864 High Similarity NPC28252
0.8864 High Similarity NPC55309
0.8791 High Similarity NPC26888
0.8791 High Similarity NPC23434
0.8791 High Similarity NPC105189
0.8778 High Similarity NPC474889
0.8778 High Similarity NPC102414
0.8778 High Similarity NPC77168
0.8778 High Similarity NPC119416
0.8778 High Similarity NPC84271
0.8764 High Similarity NPC96496
0.8723 High Similarity NPC108078
0.871 High Similarity NPC69548
0.871 High Similarity NPC45324
0.871 High Similarity NPC222845
0.871 High Similarity NPC317586
0.871 High Similarity NPC184848
0.871 High Similarity NPC279974
0.871 High Similarity NPC162001
0.871 High Similarity NPC470016
0.8696 High Similarity NPC49776
0.8696 High Similarity NPC295643
0.8696 High Similarity NPC214756
0.8696 High Similarity NPC272075
0.8696 High Similarity NPC474436
0.8696 High Similarity NPC63118
0.8681 High Similarity NPC18872
0.8681 High Similarity NPC193750
0.8681 High Similarity NPC210037
0.8681 High Similarity NPC85173
0.8681 High Similarity NPC273621
0.8681 High Similarity NPC477872
0.8681 High Similarity NPC469400
0.8681 High Similarity NPC7260
0.8681 High Similarity NPC120968
0.8681 High Similarity NPC290614
0.8681 High Similarity NPC227467
0.8667 High Similarity NPC474719
0.8667 High Similarity NPC182797
0.8667 High Similarity NPC246708
0.8667 High Similarity NPC40552
0.8667 High Similarity NPC52169
0.8652 High Similarity NPC474970
0.8652 High Similarity NPC322159
0.8636 High Similarity NPC59453
0.8636 High Similarity NPC221758
0.8632 High Similarity NPC477813
0.8632 High Similarity NPC194196
0.8621 High Similarity NPC133391
0.8617 High Similarity NPC235053
0.8602 High Similarity NPC469406
0.8602 High Similarity NPC166906
0.8587 High Similarity NPC233455
0.8587 High Similarity NPC38754
0.8587 High Similarity NPC158030
0.8587 High Similarity NPC145067
0.8587 High Similarity NPC65120
0.8587 High Similarity NPC187722
0.8587 High Similarity NPC4036
0.8587 High Similarity NPC474525
0.8571 High Similarity NPC121798
0.8571 High Similarity NPC263393
0.8571 High Similarity NPC474245
0.8571 High Similarity NPC274330
0.8571 High Similarity NPC470588
0.8571 High Similarity NPC59263
0.8571 High Similarity NPC128496
0.8571 High Similarity NPC130520
0.8571 High Similarity NPC293048
0.8571 High Similarity NPC127689
0.8571 High Similarity NPC64872
0.8571 High Similarity NPC290972
0.8571 High Similarity NPC198664
0.8571 High Similarity NPC234346
0.8571 High Similarity NPC1015
0.8571 High Similarity NPC25906
0.8571 High Similarity NPC61543
0.8571 High Similarity NPC225585
0.8571 High Similarity NPC270768
0.8571 High Similarity NPC32830
0.8571 High Similarity NPC474570
0.8571 High Similarity NPC31985
0.8571 High Similarity NPC54689
0.8571 High Similarity NPC143232
0.8557 High Similarity NPC136289
0.8557 High Similarity NPC234892
0.8556 High Similarity NPC242468
0.8556 High Similarity NPC51700
0.8556 High Similarity NPC33768
0.8556 High Similarity NPC171203
0.8556 High Similarity NPC307426
0.8556 High Similarity NPC475740
0.8556 High Similarity NPC88716
0.8556 High Similarity NPC477926
0.8556 High Similarity NPC293564
0.8556 High Similarity NPC102683
0.8556 High Similarity NPC68160
0.8556 High Similarity NPC142415
0.8556 High Similarity NPC167877
0.8556 High Similarity NPC18064
0.8556 High Similarity NPC98442
0.8556 High Similarity NPC130577
0.8539 High Similarity NPC470574
0.8539 High Similarity NPC474218
0.8526 High Similarity NPC107243
0.8526 High Similarity NPC475894
0.8526 High Similarity NPC89225
0.8526 High Similarity NPC57416
0.8526 High Similarity NPC253826
0.8511 High Similarity NPC473648
0.8511 High Similarity NPC255809
0.8506 High Similarity NPC147066
0.8506 High Similarity NPC473420
0.8495 Intermediate Similarity NPC136313
0.8495 Intermediate Similarity NPC307335
0.8495 Intermediate Similarity NPC477855
0.8495 Intermediate Similarity NPC66429
0.8495 Intermediate Similarity NPC118490
0.8495 Intermediate Similarity NPC118519
0.8495 Intermediate Similarity NPC470254
0.8495 Intermediate Similarity NPC202728
0.8495 Intermediate Similarity NPC475255
0.8495 Intermediate Similarity NPC229281
0.8495 Intermediate Similarity NPC86368
0.8495 Intermediate Similarity NPC74855
0.8495 Intermediate Similarity NPC152897
0.8495 Intermediate Similarity NPC158059
0.8478 Intermediate Similarity NPC46441
0.8478 Intermediate Similarity NPC120840
0.8478 Intermediate Similarity NPC126369
0.8478 Intermediate Similarity NPC111110
0.8478 Intermediate Similarity NPC130278
0.8478 Intermediate Similarity NPC126993
0.8478 Intermediate Similarity NPC474728
0.8478 Intermediate Similarity NPC44240
0.8478 Intermediate Similarity NPC470589
0.8478 Intermediate Similarity NPC113989
0.8469 Intermediate Similarity NPC140723
0.8469 Intermediate Similarity NPC264048
0.8462 Intermediate Similarity NPC193360
0.8462 Intermediate Similarity NPC470629
0.8462 Intermediate Similarity NPC290690
0.8462 Intermediate Similarity NPC474677
0.8462 Intermediate Similarity NPC474512
0.8462 Intermediate Similarity NPC471722
0.8462 Intermediate Similarity NPC473242
0.8462 Intermediate Similarity NPC181225
0.8462 Intermediate Similarity NPC328539
0.8462 Intermediate Similarity NPC17733
0.8462 Intermediate Similarity NPC294480
0.8454 Intermediate Similarity NPC477051
0.8454 Intermediate Similarity NPC473514
0.8454 Intermediate Similarity NPC81530
0.8454 Intermediate Similarity NPC477053
0.8454 Intermediate Similarity NPC477052
0.8444 Intermediate Similarity NPC74363
0.8444 Intermediate Similarity NPC12774
0.8444 Intermediate Similarity NPC475862
0.8444 Intermediate Similarity NPC6979
0.8444 Intermediate Similarity NPC72638
0.8444 Intermediate Similarity NPC51014
0.8444 Intermediate Similarity NPC474732
0.8444 Intermediate Similarity NPC2783
0.8444 Intermediate Similarity NPC31564
0.8444 Intermediate Similarity NPC94755
0.8444 Intermediate Similarity NPC474778
0.8444 Intermediate Similarity NPC474733
0.8444 Intermediate Similarity NPC72133
0.8444 Intermediate Similarity NPC145879

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC107674 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
0.9111 High Similarity NPD6399 Phase 3
0.8652 High Similarity NPD3618 Phase 1
0.8636 High Similarity NPD4786 Approved
0.8587 High Similarity NPD7515 Phase 2
0.8571 High Similarity NPD5328 Approved
0.8526 High Similarity NPD7902 Approved
0.8421 Intermediate Similarity NPD4697 Phase 3
0.8416 Intermediate Similarity NPD6373 Approved
0.8416 Intermediate Similarity NPD6372 Approved
0.8409 Intermediate Similarity NPD3667 Approved
0.8404 Intermediate Similarity NPD7748 Approved
0.8387 Intermediate Similarity NPD6079 Approved
0.8387 Intermediate Similarity NPD8034 Phase 2
0.8387 Intermediate Similarity NPD8035 Phase 2
0.8333 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.83 Intermediate Similarity NPD5739 Approved
0.83 Intermediate Similarity NPD6675 Approved
0.83 Intermediate Similarity NPD6402 Approved
0.83 Intermediate Similarity NPD7128 Approved
0.8252 Intermediate Similarity NPD6649 Approved
0.8252 Intermediate Similarity NPD6650 Approved
0.8211 Intermediate Similarity NPD7900 Approved
0.8211 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD6083 Phase 2
0.8144 Intermediate Similarity NPD6084 Phase 2
0.8137 Intermediate Similarity NPD7320 Approved
0.8137 Intermediate Similarity NPD6899 Approved
0.8137 Intermediate Similarity NPD6881 Approved
0.8105 Intermediate Similarity NPD4202 Approved
0.8065 Intermediate Similarity NPD6672 Approved
0.8065 Intermediate Similarity NPD5737 Approved
0.8043 Intermediate Similarity NPD7146 Approved
0.8043 Intermediate Similarity NPD5330 Approved
0.8043 Intermediate Similarity NPD7334 Approved
0.8043 Intermediate Similarity NPD6684 Approved
0.8043 Intermediate Similarity NPD7521 Approved
0.8043 Intermediate Similarity NPD6409 Approved
0.8041 Intermediate Similarity NPD5221 Approved
0.8041 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8041 Intermediate Similarity NPD5222 Approved
0.8039 Intermediate Similarity NPD5697 Approved
0.8039 Intermediate Similarity NPD5701 Approved
0.8022 Intermediate Similarity NPD3133 Approved
0.8022 Intermediate Similarity NPD3665 Phase 1
0.8022 Intermediate Similarity NPD3666 Approved
0.7981 Intermediate Similarity NPD7290 Approved
0.7981 Intermediate Similarity NPD7102 Approved
0.7981 Intermediate Similarity NPD6883 Approved
0.7961 Intermediate Similarity NPD6011 Approved
0.7959 Intermediate Similarity NPD5173 Approved
0.7959 Intermediate Similarity NPD4755 Approved
0.7938 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7905 Intermediate Similarity NPD6617 Approved
0.7905 Intermediate Similarity NPD6869 Approved
0.7905 Intermediate Similarity NPD6847 Approved
0.7905 Intermediate Similarity NPD8130 Phase 1
0.7905 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD6012 Approved
0.7885 Intermediate Similarity NPD6013 Approved
0.7885 Intermediate Similarity NPD6014 Approved
0.7879 Intermediate Similarity NPD5696 Approved
0.7879 Intermediate Similarity NPD7638 Approved
0.7872 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD6903 Approved
0.783 Intermediate Similarity NPD6882 Approved
0.783 Intermediate Similarity NPD8297 Approved
0.7826 Intermediate Similarity NPD3668 Phase 3
0.78 Intermediate Similarity NPD5286 Approved
0.78 Intermediate Similarity NPD4700 Approved
0.78 Intermediate Similarity NPD4696 Approved
0.78 Intermediate Similarity NPD5285 Approved
0.78 Intermediate Similarity NPD7640 Approved
0.78 Intermediate Similarity NPD7639 Approved
0.7789 Intermediate Similarity NPD4753 Phase 2
0.7778 Intermediate Similarity NPD7525 Registered
0.7755 Intermediate Similarity NPD5695 Phase 3
0.7727 Intermediate Similarity NPD6117 Approved
0.7723 Intermediate Similarity NPD5223 Approved
0.7706 Intermediate Similarity NPD7115 Discovery
0.766 Intermediate Similarity NPD6098 Approved
0.766 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD5279 Phase 3
0.7647 Intermediate Similarity NPD4633 Approved
0.7647 Intermediate Similarity NPD5226 Approved
0.7647 Intermediate Similarity NPD5224 Approved
0.7647 Intermediate Similarity NPD5225 Approved
0.7647 Intermediate Similarity NPD5211 Phase 2
0.764 Intermediate Similarity NPD6116 Phase 1
0.7629 Intermediate Similarity NPD5281 Approved
0.7629 Intermediate Similarity NPD5284 Approved
0.7615 Intermediate Similarity NPD6868 Approved
0.7614 Intermediate Similarity NPD7339 Approved
0.7614 Intermediate Similarity NPD6942 Approved
0.7609 Intermediate Similarity NPD4221 Approved
0.7609 Intermediate Similarity NPD4223 Phase 3
0.7604 Intermediate Similarity NPD6673 Approved
0.7604 Intermediate Similarity NPD6080 Approved
0.7604 Intermediate Similarity NPD6904 Approved
0.7596 Intermediate Similarity NPD6008 Approved
0.7593 Intermediate Similarity NPD4632 Approved
0.7576 Intermediate Similarity NPD5210 Approved
0.7576 Intermediate Similarity NPD4629 Approved
0.7573 Intermediate Similarity NPD5174 Approved
0.7573 Intermediate Similarity NPD5175 Approved
0.7573 Intermediate Similarity NPD4754 Approved
0.7556 Intermediate Similarity NPD6118 Approved
0.7556 Intermediate Similarity NPD6114 Approved
0.7556 Intermediate Similarity NPD6115 Approved
0.7556 Intermediate Similarity NPD6697 Approved
0.7553 Intermediate Similarity NPD5329 Approved
0.75 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5141 Approved
0.7477 Intermediate Similarity NPD6335 Approved
0.7475 Intermediate Similarity NPD6001 Approved
0.7473 Intermediate Similarity NPD7645 Phase 2
0.7455 Intermediate Similarity NPD6274 Approved
0.7449 Intermediate Similarity NPD6411 Approved
0.7447 Intermediate Similarity NPD4197 Approved
0.7429 Intermediate Similarity NPD4768 Approved
0.7429 Intermediate Similarity NPD4767 Approved
0.7411 Intermediate Similarity NPD7101 Approved
0.7411 Intermediate Similarity NPD7100 Approved
0.7396 Intermediate Similarity NPD3573 Approved
0.7387 Intermediate Similarity NPD6009 Approved
0.7387 Intermediate Similarity NPD6317 Approved
0.7383 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD4788 Approved
0.7333 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6314 Approved
0.7321 Intermediate Similarity NPD6313 Approved
0.732 Intermediate Similarity NPD5208 Approved
0.7292 Intermediate Similarity NPD5205 Approved
0.7292 Intermediate Similarity NPD4138 Approved
0.7292 Intermediate Similarity NPD4689 Approved
0.7292 Intermediate Similarity NPD4690 Approved
0.7292 Intermediate Similarity NPD4688 Approved
0.7292 Intermediate Similarity NPD4693 Phase 3
0.729 Intermediate Similarity NPD4729 Approved
0.729 Intermediate Similarity NPD5168 Approved
0.729 Intermediate Similarity NPD4730 Approved
0.729 Intermediate Similarity NPD5128 Approved
0.7281 Intermediate Similarity NPD6908 Approved
0.7281 Intermediate Similarity NPD6909 Approved
0.7281 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5693 Phase 1
0.7273 Intermediate Similarity NPD6050 Approved
0.7273 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD6101 Approved
0.7245 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD4695 Discontinued
0.7196 Intermediate Similarity NPD6412 Phase 2
0.7193 Intermediate Similarity NPD6319 Approved
0.7188 Intermediate Similarity NPD1694 Approved
0.7184 Intermediate Similarity NPD4225 Approved
0.7174 Intermediate Similarity NPD3617 Approved
0.7172 Intermediate Similarity NPD5207 Approved
0.7172 Intermediate Similarity NPD5692 Phase 3
0.7158 Intermediate Similarity NPD5362 Discontinued
0.7156 Intermediate Similarity NPD5135 Approved
0.7156 Intermediate Similarity NPD5249 Phase 3
0.7156 Intermediate Similarity NPD5169 Approved
0.7156 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD5251 Approved
0.7156 Intermediate Similarity NPD5250 Approved
0.7156 Intermediate Similarity NPD4634 Approved
0.7156 Intermediate Similarity NPD5248 Approved
0.7156 Intermediate Similarity NPD5247 Approved
0.7155 Intermediate Similarity NPD7604 Phase 2
0.7143 Intermediate Similarity NPD7632 Discontinued
0.713 Intermediate Similarity NPD5983 Phase 2
0.7128 Intermediate Similarity NPD5369 Approved
0.7113 Intermediate Similarity NPD4623 Approved
0.7113 Intermediate Similarity NPD4694 Approved
0.7113 Intermediate Similarity NPD4519 Discontinued
0.7113 Intermediate Similarity NPD5280 Approved
0.7113 Intermediate Similarity NPD5690 Phase 2
0.71 Intermediate Similarity NPD5694 Approved
0.7094 Intermediate Similarity NPD7492 Approved
0.7091 Intermediate Similarity NPD5215 Approved
0.7091 Intermediate Similarity NPD5217 Approved
0.7091 Intermediate Similarity NPD5127 Approved
0.7091 Intermediate Similarity NPD5216 Approved
0.7071 Intermediate Similarity NPD6051 Approved
0.7053 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD6054 Approved
0.7043 Intermediate Similarity NPD6059 Approved
0.7034 Intermediate Similarity NPD6616 Approved
0.7034 Intermediate Similarity NPD6336 Discontinued
0.7 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7078 Approved
0.6975 Remote Similarity NPD8293 Discontinued
0.6966 Remote Similarity NPD4747 Approved
0.6947 Remote Similarity NPD4139 Approved
0.6947 Remote Similarity NPD4692 Approved
0.6939 Remote Similarity NPD5786 Approved

Structure

External Identifiers

PubChem CID   44559201
ChEMBL   CHEMBL513879
ZINC  

Physicochemical Properties

Molecular Weight:  484.36
ALogP:  2.6759
MLogP:  4.43
XLogP:  6.703
# Rotatable Bonds:  16
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# 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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