Natural Product: NPC477905

Natural Product ID:  NPC477905
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H38O8
Standard InCHIKey:  FXSCYAYMGRCTDQ-BPTSAJAMSA-N
Standard InCHI:  InChI=1S/C34H38O8/c1-21-12-11-17-24-31(21,2)28(41-30(38)23-15-9-6-10-16-23)27(36)33(4)32(24,3)25(18-34(42-33)19-26(35)39-20-34)40-29(37)22-13-7-5-8-14-22/h5-10,13-16,24-25,27-28,36H,1,11-12,17-20H2,2-4H3/t24?,25-,27-,28-,31-,32-,33-,34+/m0/s1
Canonical SMILES:  O=C1OC[C@]2(C1)C[C@H](OC(=O)c1ccccc1)[C@]1([C@](O2)(C)[C@@H](O)[C@@H]([C@@]2(C1CCCC2=C)C)OC(=O)c1ccccc1)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
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota aerial parts Seoul, Korea PMID[26331882]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 20600 nM 26331882

  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 NPC477905 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
0.986 High Similarity NPC472548
0.9724 High Similarity NPC472549
0.9524 High Similarity NPC106895
0.9521 High Similarity NPC158333
0.9521 High Similarity NPC242262
0.9521 High Similarity NPC265395
0.9521 High Similarity NPC256142
0.9521 High Similarity NPC473414
0.9521 High Similarity NPC472030
0.9521 High Similarity NPC249471
0.9521 High Similarity NPC472022
0.9521 High Similarity NPC304876
0.9521 High Similarity NPC257213
0.9521 High Similarity NPC237549
0.9521 High Similarity NPC1173
0.9521 High Similarity NPC472005
0.9456 High Similarity NPC26033
0.9456 High Similarity NPC114410
0.9456 High Similarity NPC282239
0.9456 High Similarity NPC112523
0.9456 High Similarity NPC228204
0.9448 High Similarity NPC7095
0.9441 High Similarity NPC473088
0.9441 High Similarity NPC469349
0.9441 High Similarity NPC177940
0.9441 High Similarity NPC96903
0.9441 High Similarity NPC174982
0.9441 High Similarity NPC158663
0.9441 High Similarity NPC472572
0.9441 High Similarity NPC171525
0.9441 High Similarity NPC29704
0.9441 High Similarity NPC471104
0.9441 High Similarity NPC184817
0.9441 High Similarity NPC470159
0.9441 High Similarity NPC70403
0.9441 High Similarity NPC472571
0.9441 High Similarity NPC472568
0.9441 High Similarity NPC200471
0.9441 High Similarity NPC476973
0.9441 High Similarity NPC472575
0.9441 High Similarity NPC470157
0.9396 High Similarity NPC471102
0.9392 High Similarity NPC217091
0.9388 High Similarity NPC77719
0.9384 High Similarity NPC470153
0.9379 High Similarity NPC92293
0.9379 High Similarity NPC301556
0.9379 High Similarity NPC250046
0.9379 High Similarity NPC81698
0.9379 High Similarity NPC270590
0.9379 High Similarity NPC60509
0.9379 High Similarity NPC266265
0.9379 High Similarity NPC471101
0.9371 High Similarity NPC70716
0.9371 High Similarity NPC95810
0.9371 High Similarity NPC472569
0.9371 High Similarity NPC125106
0.9371 High Similarity NPC475122
0.9371 High Similarity NPC470152
0.9371 High Similarity NPC11685
0.9371 High Similarity NPC476974
0.9371 High Similarity NPC95265
0.9371 High Similarity NPC163719
0.9371 High Similarity NPC188865
0.9371 High Similarity NPC25768
0.9371 High Similarity NPC57628
0.9371 High Similarity NPC475759
0.9371 High Similarity NPC241951
0.9371 High Similarity NPC472570
0.9371 High Similarity NPC472573
0.9329 High Similarity NPC469771
0.9329 High Similarity NPC472393
0.9315 High Similarity NPC198455
0.9315 High Similarity NPC165260
0.9315 High Similarity NPC161239
0.9315 High Similarity NPC112216
0.931 High Similarity NPC281717
0.9306 High Similarity NPC472556
0.9301 High Similarity NPC163087
0.9267 High Similarity NPC469399
0.9252 High Similarity NPC471103
0.9252 High Similarity NPC51602
0.9247 High Similarity NPC476975
0.92 High Similarity NPC469417
0.9195 High Similarity NPC473670
0.9195 High Similarity NPC21410
0.9184 High Similarity NPC473214
0.9184 High Similarity NPC254558
0.9184 High Similarity NPC470245
0.9172 High Similarity NPC127857
0.9161 High Similarity NPC472576
0.9161 High Similarity NPC27377
0.9161 High Similarity NPC97947
0.9161 High Similarity NPC87448
0.9161 High Similarity NPC41481
0.9161 High Similarity NPC291599
0.9161 High Similarity NPC118080
0.9161 High Similarity NPC16912
0.9116 High Similarity NPC473215
0.911 High Similarity NPC474935
0.9091 High Similarity NPC171207
0.9091 High Similarity NPC473060
0.9091 High Similarity NPC211137
0.9091 High Similarity NPC200592
0.9091 High Similarity NPC90614
0.9091 High Similarity NPC100913
0.9091 High Similarity NPC476094
0.9091 High Similarity NPC473613
0.9091 High Similarity NPC183270
0.9091 High Similarity NPC473081
0.9091 High Similarity NPC184747
0.9091 High Similarity NPC4341
0.9091 High Similarity NPC275592
0.9091 High Similarity NPC473112
0.9091 High Similarity NPC48017
0.9091 High Similarity NPC147880
0.9091 High Similarity NPC473085
0.9091 High Similarity NPC473758
0.9091 High Similarity NPC473109
0.9091 High Similarity NPC97667
0.9091 High Similarity NPC43241
0.9091 High Similarity NPC477904
0.9038 High Similarity NPC469420
0.9034 High Similarity NPC191082
0.9034 High Similarity NPC477894
0.9034 High Similarity NPC246480
0.9034 High Similarity NPC475429
0.9034 High Similarity NPC177340
0.9034 High Similarity NPC139067
0.9034 High Similarity NPC147217
0.9034 High Similarity NPC270498
0.9034 High Similarity NPC473673
0.9028 High Similarity NPC224491
0.9026 High Similarity NPC295408
0.9026 High Similarity NPC329960
0.9026 High Similarity NPC150893
0.9021 High Similarity NPC475652
0.9021 High Similarity NPC210591
0.9021 High Similarity NPC214550
0.902 High Similarity NPC476077
0.9 High Similarity NPC469477
0.9 High Similarity NPC133430
0.8993 High Similarity NPC306799
0.8993 High Similarity NPC101043
0.8981 High Similarity NPC477473
0.8981 High Similarity NPC477466
0.8981 High Similarity NPC477469
0.8981 High Similarity NPC477471
0.898 High Similarity NPC473602
0.8973 High Similarity NPC51314
0.8973 High Similarity NPC67777
0.8958 High Similarity NPC472547
0.8951 High Similarity NPC283375
0.8951 High Similarity NPC183122
0.894 High Similarity NPC469730
0.894 High Similarity NPC473611
0.894 High Similarity NPC473632
0.894 High Similarity NPC132599
0.8931 High Similarity NPC469421
0.8926 High Similarity NPC91730
0.8926 High Similarity NPC469448
0.8917 High Similarity NPC102465
0.8912 High Similarity NPC471100
0.8912 High Similarity NPC471107
0.8904 High Similarity NPC477468
0.8904 High Similarity NPC91703
0.8903 High Similarity NPC66193
0.8867 High Similarity NPC197037
0.8846 High Similarity NPC471134
0.8844 High Similarity NPC470231
0.8836 High Similarity NPC182869
0.8836 High Similarity NPC34012
0.8819 High Similarity NPC39549
0.8816 High Similarity NPC34066
0.8816 High Similarity NPC5115
0.8811 High Similarity NPC472577
0.8811 High Similarity NPC195647
0.8811 High Similarity NPC477893
0.8811 High Similarity NPC66761
0.8811 High Similarity NPC17877
0.8811 High Similarity NPC477896
0.8811 High Similarity NPC291638
0.8792 High Similarity NPC217918
0.879 High Similarity NPC477491
0.879 High Similarity NPC61891
0.8784 High Similarity NPC301946
0.8784 High Similarity NPC277053
0.875 High Similarity NPC134685
0.875 High Similarity NPC472551
0.875 High Similarity NPC248265
0.875 High Similarity NPC472545
0.875 High Similarity NPC219419
0.875 High Similarity NPC229545
0.875 High Similarity NPC11588
0.8741 High Similarity NPC474608
0.8725 High Similarity NPC477737
0.8716 High Similarity NPC471912
0.8716 High Similarity NPC80895
0.871 High Similarity NPC477623
0.8707 High Similarity NPC472546

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477905 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
0.8121 Intermediate Similarity NPD7799 Discontinued
0.8052 Intermediate Similarity NPD7236 Approved
0.8012 Intermediate Similarity NPD8434 Phase 2
0.8 Intermediate Similarity NPD8407 Phase 2
0.7929 Intermediate Similarity NPD8368 Discontinued
0.7919 Intermediate Similarity NPD8360 Approved
0.7919 Intermediate Similarity NPD8435 Approved
0.7919 Intermediate Similarity NPD8361 Approved
0.7911 Intermediate Similarity NPD7239 Suspended
0.7853 Intermediate Similarity NPD8485 Approved
0.7803 Intermediate Similarity NPD8150 Discontinued
0.78 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD8313 Approved
0.7529 Intermediate Similarity NPD8312 Approved
0.747 Intermediate Similarity NPD7057 Phase 3
0.747 Intermediate Similarity NPD7058 Phase 2
0.7468 Intermediate Similarity NPD4628 Phase 3
0.7455 Intermediate Similarity NPD7819 Suspended
0.7396 Intermediate Similarity NPD8127 Discontinued
0.7378 Intermediate Similarity NPD4380 Phase 2
0.7368 Intermediate Similarity NPD7008 Discontinued
0.7366 Intermediate Similarity NPD8320 Phase 1
0.7366 Intermediate Similarity NPD8319 Approved
0.7365 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD8166 Discontinued
0.7349 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD5844 Phase 1
0.7326 Intermediate Similarity NPD7473 Discontinued
0.7322 Intermediate Similarity NPD7699 Phase 2
0.7322 Intermediate Similarity NPD7700 Phase 2
0.7321 Intermediate Similarity NPD7075 Discontinued
0.7318 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7458 Discontinued
0.7312 Intermediate Similarity NPD6190 Approved
0.7283 Intermediate Similarity NPD7228 Approved
0.7273 Intermediate Similarity NPD7961 Discontinued
0.7257 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD6535 Approved
0.7253 Intermediate Similarity NPD6534 Approved
0.7251 Intermediate Similarity NPD6232 Discontinued
0.7246 Intermediate Similarity NPD5761 Phase 2
0.7246 Intermediate Similarity NPD5760 Phase 2
0.7239 Intermediate Similarity NPD6273 Approved
0.7235 Intermediate Similarity NPD5494 Approved
0.7219 Intermediate Similarity NPD7435 Discontinued
0.7216 Intermediate Similarity NPD7685 Pre-registration
0.7208 Intermediate Similarity NPD3764 Approved
0.7202 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD37 Approved
0.7178 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD6599 Discontinued
0.7168 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6166 Phase 2
0.7162 Intermediate Similarity NPD5125 Phase 3
0.7162 Intermediate Similarity NPD5126 Approved
0.716 Intermediate Similarity NPD4966 Approved
0.716 Intermediate Similarity NPD4965 Approved
0.716 Intermediate Similarity NPD4967 Phase 2
0.7143 Intermediate Similarity NPD8455 Phase 2
0.7143 Intermediate Similarity NPD7741 Discontinued
0.7143 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7497 Discontinued
0.7126 Intermediate Similarity NPD7411 Suspended
0.7119 Intermediate Similarity NPD7240 Approved
0.7118 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD2629 Approved
0.7102 Intermediate Similarity NPD7074 Phase 3
0.7098 Intermediate Similarity NPD8462 Phase 1
0.7093 Intermediate Similarity NPD6959 Discontinued
0.7086 Intermediate Similarity NPD3818 Discontinued
0.7083 Intermediate Similarity NPD6801 Discontinued
0.7083 Intermediate Similarity NPD7874 Approved
0.7083 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD6234 Discontinued
0.7073 Intermediate Similarity NPD2534 Approved
0.7073 Intermediate Similarity NPD2533 Approved
0.7073 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2532 Approved
0.7063 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6778 Approved
0.7059 Intermediate Similarity NPD6781 Approved
0.7059 Intermediate Similarity NPD6780 Approved
0.7059 Intermediate Similarity NPD6782 Approved
0.7059 Intermediate Similarity NPD6776 Approved
0.7059 Intermediate Similarity NPD6779 Approved
0.7059 Intermediate Similarity NPD7768 Phase 2
0.7059 Intermediate Similarity NPD6777 Approved
0.7055 Intermediate Similarity NPD4198 Discontinued
0.7052 Intermediate Similarity NPD3787 Discontinued
0.7045 Intermediate Similarity NPD7054 Approved
0.7041 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7696 Phase 3
0.7037 Intermediate Similarity NPD7003 Approved
0.7037 Intermediate Similarity NPD7698 Approved
0.7037 Intermediate Similarity NPD7697 Approved
0.7031 Intermediate Similarity NPD8151 Discontinued
0.7022 Intermediate Similarity NPD6559 Discontinued
0.7018 Intermediate Similarity NPD3749 Approved
0.7006 Intermediate Similarity NPD3226 Approved
0.7006 Intermediate Similarity NPD6591 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7472 Approved
0.7 Intermediate Similarity NPD5402 Approved
0.7 Intermediate Similarity NPD7871 Phase 2
0.7 Intermediate Similarity NPD7870 Phase 2
0.7 Intermediate Similarity NPD3817 Phase 2
0.6989 Remote Similarity NPD3751 Discontinued
0.6986 Remote Similarity NPD5951 Approved
0.6983 Remote Similarity NPD7808 Phase 3
0.6982 Remote Similarity NPD1934 Approved
0.6979 Remote Similarity NPD7701 Phase 2
0.6977 Remote Similarity NPD5537 Clinical (unspecified phase)
0.697 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7801 Approved
0.6957 Remote Similarity NPD2346 Discontinued
0.6954 Remote Similarity NPD8404 Phase 2
0.6933 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7251 Discontinued
0.6919 Remote Similarity NPD6213 Phase 3
0.6919 Remote Similarity NPD6212 Phase 3
0.6919 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6909 Remote Similarity NPD6799 Approved
0.6905 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6897 Remote Similarity NPD7199 Phase 2
0.6895 Remote Similarity NPD6823 Phase 2
0.6894 Remote Similarity NPD5404 Approved
0.6894 Remote Similarity NPD5406 Approved
0.6894 Remote Similarity NPD5405 Approved
0.6894 Remote Similarity NPD5408 Approved
0.6889 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6886 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6886 Remote Similarity NPD5403 Approved
0.6875 Remote Similarity NPD7097 Phase 1
0.6872 Remote Similarity NPD6797 Phase 2
0.6871 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5401 Approved
0.6867 Remote Similarity NPD7410 Clinical (unspecified phase)
0.686 Remote Similarity NPD3882 Suspended
0.6855 Remote Similarity NPD230 Phase 1
0.6852 Remote Similarity NPD7266 Discontinued
0.6842 Remote Similarity NPD1465 Phase 2
0.6833 Remote Similarity NPD6764 Approved
0.6833 Remote Similarity NPD6765 Approved
0.6829 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6807 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7390 Discontinued
0.6806 Remote Similarity NPD2182 Approved
0.6803 Remote Similarity NPD6010 Discontinued
0.6788 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7783 Phase 2
0.6786 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6776 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6744 Remote Similarity NPD2801 Approved
0.6737 Remote Similarity NPD8285 Discontinued
0.6733 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6733 Remote Similarity NPD7610 Discontinued
0.673 Remote Similarity NPD7714 Approved
0.673 Remote Similarity NPD7715 Approved
0.6728 Remote Similarity NPD7033 Discontinued
0.6728 Remote Similarity NPD2799 Discontinued
0.6723 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6713 Remote Similarity NPD5048 Discontinued
0.6707 Remote Similarity NPD1549 Phase 2
0.6707 Remote Similarity NPD970 Clinical (unspecified phase)
0.6701 Remote Similarity NPD7211 Clinical (unspecified phase)
0.669 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6687 Remote Similarity NPD2796 Approved
0.6687 Remote Similarity NPD2935 Discontinued
0.6685 Remote Similarity NPD6784 Approved
0.6685 Remote Similarity NPD6785 Approved
0.6667 Remote Similarity NPD2313 Discontinued
0.6667 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD5711 Approved
0.6667 Remote Similarity NPD7229 Phase 3
0.6667 Remote Similarity NPD5710 Approved
0.6646 Remote Similarity NPD6355 Discontinued
0.6646 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6646 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6646 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6645 Remote Similarity NPD8513 Phase 3
0.6645 Remote Similarity NPD8516 Approved
0.6645 Remote Similarity NPD8517 Approved
0.6645 Remote Similarity NPD8515 Approved
0.6627 Remote Similarity NPD3750 Approved
0.6626 Remote Similarity NPD7305 Phase 1
0.6626 Remote Similarity NPD1510 Phase 2
0.6626 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6625 Remote Similarity NPD6663 Approved
0.6625 Remote Similarity NPD7713 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3608468
ZINC  

Physicochemical Properties

Molecular Weight:  574.26
ALogP:  0.0882
MLogP:  4.32
XLogP:  7.784
# Rotatable Bonds:  10
Polar Surface Area:  108.36
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  42

Download Data

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