Natural Product: NPC133430

Natural Product ID:  NPC133430
Common Name:   Albiflorin
IUPAC Name:  
Synonyms:   Albiflorin
Molecular Formula:   C23H28O11
Standard InCHIKey:  QQUHMASGPODSIW-MBOWWSQSSA-N
Standard InCHI:  InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22+,23-/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@]3(COC(=O)c3ccccc3)C(=O)O[C@@]2(C)C[C@H]4O)[C@@H]([C@H]([C@@H]1O)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
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota TM-MC*
NPO22550 Paeonia suffruticosa Species Paeoniaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Activity = 78.47 % 22137340
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Activity = 87.39 % 22137340

  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 NPC133430 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 NPC469477
0.9728 High Similarity NPC469399
0.9658 High Similarity NPC5115
0.9527 High Similarity NPC469417
0.9444 High Similarity NPC469513
0.9384 High Similarity NPC222102
0.9384 High Similarity NPC303429
0.932 High Similarity NPC469415
0.9262 High Similarity NPC34066
0.9262 High Similarity NPC469422
0.9252 High Similarity NPC469448
0.9156 High Similarity NPC477627
0.9133 High Similarity NPC469398
0.9097 High Similarity NPC77493
0.906 High Similarity NPC471103
0.9048 High Similarity NPC477737
0.9032 High Similarity NPC471493
0.902 High Similarity NPC477623
0.9007 High Similarity NPC469456
0.9 High Similarity NPC472548
0.9 High Similarity NPC477905
0.8994 High Similarity NPC469421
0.8993 High Similarity NPC91730
0.8981 High Similarity NPC469420
0.8966 High Similarity NPC87448
0.8966 High Similarity NPC97947
0.8966 High Similarity NPC118080
0.8966 High Similarity NPC472576
0.8966 High Similarity NPC27377
0.8966 High Similarity NPC41481
0.8966 High Similarity NPC291599
0.8933 High Similarity NPC51602
0.8933 High Similarity NPC197037
0.8924 High Similarity NPC469419
0.891 High Similarity NPC117943
0.891 High Similarity NPC293568
0.8897 High Similarity NPC97667
0.8897 High Similarity NPC275592
0.8897 High Similarity NPC90614
0.8897 High Similarity NPC100913
0.8897 High Similarity NPC171207
0.8882 High Similarity NPC472549
0.8867 High Similarity NPC476173
0.8861 High Similarity NPC102465
0.8859 High Similarity NPC217918
0.8851 High Similarity NPC127857
0.8846 High Similarity NPC295408
0.8846 High Similarity NPC329960
0.8846 High Similarity NPC150893
0.8836 High Similarity NPC16912
0.8824 High Similarity NPC106895
0.8816 High Similarity NPC219419
0.8816 High Similarity NPC11588
0.8816 High Similarity NPC229545
0.8816 High Similarity NPC248265
0.8816 High Similarity NPC134685
0.8805 High Similarity NPC469458
0.8805 High Similarity NPC88176
0.8805 High Similarity NPC477469
0.8805 High Similarity NPC469459
0.8805 High Similarity NPC477473
0.8805 High Similarity NPC477466
0.8805 High Similarity NPC469396
0.8805 High Similarity NPC149002
0.8805 High Similarity NPC477471
0.88 High Similarity NPC81698
0.88 High Similarity NPC250046
0.88 High Similarity NPC60509
0.8797 High Similarity NPC120012
0.8784 High Similarity NPC470152
0.8784 High Similarity NPC241951
0.8784 High Similarity NPC475759
0.8782 High Similarity NPC43304
0.8782 High Similarity NPC477188
0.8782 High Similarity NPC477190
0.8767 High Similarity NPC183270
0.8767 High Similarity NPC477904
0.8767 High Similarity NPC472547
0.8766 High Similarity NPC477735
0.8758 High Similarity NPC473670
0.8758 High Similarity NPC473632
0.8758 High Similarity NPC132599
0.8758 High Similarity NPC114357
0.8758 High Similarity NPC21410
0.8758 High Similarity NPC469730
0.8758 High Similarity NPC259144
0.8758 High Similarity NPC155329
0.8758 High Similarity NPC282239
0.8742 High Similarity NPC161239
0.8742 High Similarity NPC265600
0.8742 High Similarity NPC198455
0.8742 High Similarity NPC7095
0.8742 High Similarity NPC165260
0.8734 High Similarity NPC477491
0.8726 High Similarity NPC66193
0.8725 High Similarity NPC471107
0.8725 High Similarity NPC29704
0.8725 High Similarity NPC472571
0.8725 High Similarity NPC177940
0.8725 High Similarity NPC174982
0.8725 High Similarity NPC471104
0.8725 High Similarity NPC472572
0.8725 High Similarity NPC476973
0.8725 High Similarity NPC184817
0.8725 High Similarity NPC472568
0.8725 High Similarity NPC471100
0.8725 High Similarity NPC70403
0.8725 High Similarity NPC96903
0.8725 High Similarity NPC470157
0.8725 High Similarity NPC200471
0.8725 High Similarity NPC473088
0.8725 High Similarity NPC472575
0.8725 High Similarity NPC469349
0.8725 High Similarity NPC158663
0.8725 High Similarity NPC470159
0.8725 High Similarity NPC171525
0.8716 High Similarity NPC163087
0.8716 High Similarity NPC477894
0.871 High Similarity NPC477736
0.8684 High Similarity NPC470153
0.8671 High Similarity NPC471134
0.8658 High Similarity NPC125106
0.8658 High Similarity NPC57628
0.8658 High Similarity NPC95810
0.8658 High Similarity NPC472569
0.8658 High Similarity NPC476974
0.8658 High Similarity NPC472570
0.8658 High Similarity NPC188865
0.8658 High Similarity NPC25768
0.8658 High Similarity NPC472573
0.8658 High Similarity NPC163719
0.8658 High Similarity NPC475122
0.8658 High Similarity NPC38696
0.8658 High Similarity NPC95265
0.8658 High Similarity NPC11685
0.8658 High Similarity NPC70716
0.8649 High Similarity NPC34012
0.8645 High Similarity NPC472393
0.8645 High Similarity NPC181924
0.8636 High Similarity NPC473611
0.8636 High Similarity NPC228204
0.8636 High Similarity NPC26033
0.863 High Similarity NPC39549
0.8621 High Similarity NPC17877
0.8621 High Similarity NPC195647
0.8621 High Similarity NPC66761
0.8621 High Similarity NPC291638
0.8621 High Similarity NPC472577
0.8618 High Similarity NPC112216
0.8616 High Similarity NPC61891
0.8608 High Similarity NPC478073
0.8606 High Similarity NPC469418
0.8598 High Similarity NPC469438
0.8591 High Similarity NPC91703
0.859 High Similarity NPC49297
0.859 High Similarity NPC471102
0.8589 High Similarity NPC477617
0.8589 High Similarity NPC148185
0.8581 High Similarity NPC217091
0.8571 High Similarity NPC473414
0.8571 High Similarity NPC472657
0.8571 High Similarity NPC265395
0.8571 High Similarity NPC471135
0.8571 High Similarity NPC237549
0.8571 High Similarity NPC146310
0.8571 High Similarity NPC304876
0.8571 High Similarity NPC477488
0.8571 High Similarity NPC249471
0.8571 High Similarity NPC256142
0.8571 High Similarity NPC472030
0.8571 High Similarity NPC472022
0.8571 High Similarity NPC1173
0.8571 High Similarity NPC472658
0.8571 High Similarity NPC257213
0.8571 High Similarity NPC472005
0.8571 High Similarity NPC242262
0.8571 High Similarity NPC158333
0.8562 High Similarity NPC472551
0.8562 High Similarity NPC101043
0.8562 High Similarity NPC306799
0.8562 High Similarity NPC472545
0.8553 High Similarity NPC471101
0.8553 High Similarity NPC476975
0.8553 High Similarity NPC266265
0.8553 High Similarity NPC92293
0.8553 High Similarity NPC301556
0.8553 High Similarity NPC270590
0.8552 High Similarity NPC474608
0.8543 High Similarity NPC478263
0.8543 High Similarity NPC474935
0.8523 High Similarity NPC182869
0.8516 High Similarity NPC112523
0.8516 High Similarity NPC114410
0.8509 High Similarity NPC40138
0.8497 Intermediate Similarity NPC473214
0.8497 Intermediate Similarity NPC470245
0.8497 Intermediate Similarity NPC254558
0.8494 Intermediate Similarity NPC80360
0.8494 Intermediate Similarity NPC260300
0.8493 Intermediate Similarity NPC473216

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC133430 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
0.8274 Intermediate Similarity NPD8407 Phase 2
0.8204 Intermediate Similarity NPD8368 Discontinued
0.8182 Intermediate Similarity NPD7799 Discontinued
0.8133 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7867 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD8434 Phase 2
0.7785 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD8435 Approved
0.7771 Intermediate Similarity NPD8361 Approved
0.7771 Intermediate Similarity NPD8360 Approved
0.7658 Intermediate Similarity NPD7236 Approved
0.7584 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD7239 Suspended
0.75 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3818 Discontinued
0.7381 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD6559 Discontinued
0.7349 Intermediate Similarity NPD37 Approved
0.7347 Intermediate Similarity NPD5125 Phase 3
0.7347 Intermediate Similarity NPD5126 Approved
0.7346 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7322 Intermediate Similarity NPD8485 Approved
0.7321 Intermediate Similarity NPD4965 Approved
0.7321 Intermediate Similarity NPD4967 Phase 2
0.7321 Intermediate Similarity NPD4966 Approved
0.7312 Intermediate Similarity NPD4628 Phase 3
0.7308 Intermediate Similarity NPD6535 Approved
0.7308 Intermediate Similarity NPD6534 Approved
0.7288 Intermediate Similarity NPD8312 Approved
0.7288 Intermediate Similarity NPD8313 Approved
0.7273 Intermediate Similarity NPD7685 Pre-registration
0.7263 Intermediate Similarity NPD8150 Discontinued
0.7241 Intermediate Similarity NPD7228 Approved
0.7235 Intermediate Similarity NPD6234 Discontinued
0.7232 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7058 Phase 2
0.7219 Intermediate Similarity NPD7057 Phase 3
0.7189 Intermediate Similarity NPD7700 Phase 2
0.7189 Intermediate Similarity NPD7699 Phase 2
0.7181 Intermediate Similarity NPD7435 Discontinued
0.716 Intermediate Similarity NPD6190 Approved
0.7159 Intermediate Similarity NPD7074 Phase 3
0.715 Intermediate Similarity NPD8462 Phase 1
0.7143 Intermediate Similarity NPD8320 Phase 1
0.7143 Intermediate Similarity NPD8319 Approved
0.7126 Intermediate Similarity NPD4380 Phase 2
0.7124 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD6781 Approved
0.7112 Intermediate Similarity NPD6778 Approved
0.7112 Intermediate Similarity NPD6782 Approved
0.7112 Intermediate Similarity NPD6780 Approved
0.7112 Intermediate Similarity NPD6777 Approved
0.7112 Intermediate Similarity NPD6776 Approved
0.7112 Intermediate Similarity NPD6779 Approved
0.7102 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD5844 Phase 1
0.7102 Intermediate Similarity NPD7054 Approved
0.7101 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD7819 Suspended
0.7093 Intermediate Similarity NPD5494 Approved
0.7079 Intermediate Similarity NPD7240 Approved
0.7076 Intermediate Similarity NPD7075 Discontinued
0.7066 Intermediate Similarity NPD7458 Discontinued
0.7062 Intermediate Similarity NPD7472 Approved
0.7055 Intermediate Similarity NPD2629 Approved
0.7052 Intermediate Similarity NPD7199 Phase 2
0.7048 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD2534 Approved
0.703 Intermediate Similarity NPD2532 Approved
0.703 Intermediate Similarity NPD2533 Approved
0.7024 Intermediate Similarity NPD6599 Discontinued
0.7022 Intermediate Similarity NPD6797 Phase 2
0.7019 Intermediate Similarity NPD7266 Discontinued
0.7018 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD6232 Discontinued
0.7005 Intermediate Similarity NPD8404 Phase 2
0.7 Intermediate Similarity NPD5761 Phase 2
0.7 Intermediate Similarity NPD5760 Phase 2
0.6995 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7473 Discontinued
0.6983 Remote Similarity NPD7251 Discontinued
0.6973 Remote Similarity NPD6213 Phase 3
0.6973 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6973 Remote Similarity NPD6212 Phase 3
0.697 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7874 Approved
0.6959 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6949 Remote Similarity NPD3751 Discontinued
0.6944 Remote Similarity NPD7808 Phase 3
0.6943 Remote Similarity NPD3764 Approved
0.6941 Remote Similarity NPD6801 Discontinued
0.6936 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6914 Remote Similarity NPD3787 Discontinued
0.6911 Remote Similarity NPD7696 Phase 3
0.6911 Remote Similarity NPD7698 Approved
0.6911 Remote Similarity NPD7697 Approved
0.6901 Remote Similarity NPD8455 Phase 2
0.6901 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6892 Remote Similarity NPD4198 Discontinued
0.6887 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6879 Remote Similarity NPD7008 Discontinued
0.6875 Remote Similarity NPD7871 Phase 2
0.6875 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7870 Phase 2
0.6864 Remote Similarity NPD6591 Clinical (unspecified phase)
0.686 Remote Similarity NPD5402 Approved
0.686 Remote Similarity NPD3817 Phase 2
0.6859 Remote Similarity NPD6823 Phase 2
0.6857 Remote Similarity NPD8127 Discontinued
0.6856 Remote Similarity NPD7701 Phase 2
0.6842 Remote Similarity NPD1934 Approved
0.6839 Remote Similarity NPD7319 Approved
0.6837 Remote Similarity NPD7801 Approved
0.6826 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6821 Remote Similarity NPD8151 Discontinued
0.6813 Remote Similarity NPD230 Phase 1
0.681 Remote Similarity NPD2346 Discontinued
0.6796 Remote Similarity NPD6764 Approved
0.6796 Remote Similarity NPD6765 Approved
0.6786 Remote Similarity NPD6273 Approved
0.6784 Remote Similarity NPD7411 Suspended
0.6766 Remote Similarity NPD6799 Approved
0.6765 Remote Similarity NPD3226 Approved
0.6759 Remote Similarity NPD2182 Approved
0.6757 Remote Similarity NPD6010 Discontinued
0.6755 Remote Similarity NPD7741 Discontinued
0.6753 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6751 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6751 Remote Similarity NPD7783 Phase 2
0.6742 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6166 Phase 2
0.6742 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6736 Remote Similarity NPD7497 Discontinued
0.6724 Remote Similarity NPD3882 Suspended
0.6711 Remote Similarity NPD8513 Phase 3
0.6711 Remote Similarity NPD8516 Approved
0.6711 Remote Similarity NPD8517 Approved
0.6711 Remote Similarity NPD5951 Approved
0.6711 Remote Similarity NPD8515 Approved
0.6705 Remote Similarity NPD2801 Approved
0.669 Remote Similarity NPD6686 Approved
0.6687 Remote Similarity NPD8166 Discontinued
0.6687 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6687 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6687 Remote Similarity NPD7961 Discontinued
0.6686 Remote Similarity NPD3749 Approved
0.6667 Remote Similarity NPD7999 Approved
0.6667 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6667 Remote Similarity NPD970 Clinical (unspecified phase)
0.665 Remote Similarity NPD7930 Approved
0.6649 Remote Similarity NPD6784 Approved
0.6649 Remote Similarity NPD6785 Approved
0.6648 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6647 Remote Similarity NPD5403 Approved
0.6646 Remote Similarity NPD2935 Discontinued
0.6645 Remote Similarity NPD7507 Approved
0.6629 Remote Similarity NPD5710 Approved
0.6629 Remote Similarity NPD5711 Approved
0.6628 Remote Similarity NPD7028 Phase 2
0.6627 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6627 Remote Similarity NPD5401 Approved
0.6622 Remote Similarity NPD969 Suspended
0.6618 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6609 Remote Similarity NPD1465 Phase 2
0.6608 Remote Similarity NPD1653 Approved
0.6585 Remote Similarity NPD7033 Discontinued
0.6585 Remote Similarity NPD2799 Discontinued
0.6573 Remote Similarity NPD6959 Discontinued
0.657 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6566 Remote Similarity NPD1549 Phase 2
0.6556 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6554 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6553 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6552 Remote Similarity NPD5048 Discontinued
0.6545 Remote Similarity NPD2796 Approved
0.6536 Remote Similarity NPD9545 Approved
0.6531 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6529 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6529 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6529 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6528 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6527 Remote Similarity NPD6674 Discontinued
0.6527 Remote Similarity NPD2800 Approved
0.6524 Remote Similarity NPD7097 Phase 1
0.6522 Remote Similarity NPD2313 Discontinued
0.6516 Remote Similarity NPD7457 Clinical (unspecified phase)
0.651 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6506 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6506 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6506 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6506 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6503 Remote Similarity NPD1933 Approved
0.649 Remote Similarity NPD690 Clinical (unspecified phase)
0.6488 Remote Similarity NPD7003 Approved
0.6488 Remote Similarity NPD2575 Approved
0.6485 Remote Similarity NPD1510 Phase 2

Structure

External Identifiers

PubChem CID   15558591
ChEMBL   CHEMBL1939883
ZINC  

Physicochemical Properties

Molecular Weight:  480.16
ALogP:  -3.3767
MLogP:  2.78
XLogP:  0.81
# Rotatable Bonds:  13
Polar Surface Area:  172.21
# H-Bond Aceptor:  11
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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