Natural Product: NPC476653

Natural Product ID:  NPC476653
Common Name:   Asperbiphenyl
IUPAC Name:   (3R,4S)-7-[(3S,4R)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromen-7-yl]-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-6,8-diol
Synonyms:  
Molecular Formula:   C24H30O6
Standard InCHIKey:  QQSDXJQCNPKBHF-IOQCUFBNSA-N
Standard InCHI:  InChI=1S/C24H30O6/c1-9-13(5)29-7-15-17(9)11(3)21(25)19(23(15)27)20-22(26)12(4)18-10(2)14(6)30-8-16(18)24(20)28/h9-10,13-14,25-28H,7-8H2,1-6H3/t9-,10+,13-,14+
Canonical SMILES:  C[C@@H]1OCc2c([C@H]1C)c(C)c(c(c2O)c1c(O)c(C)c2c(c1O)CO[C@@H]([C@H]2C)C)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
NPO33615 Aspergillus sp. MF-93 Species Aspergillaceae Eukaryota Quan-Zhou Gulf, Fujian Province, China 2002 PMID[18823067]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 35.5 % 18823067

  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 NPC476653 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
0.8702 High Similarity NPC473107
0.8699 High Similarity NPC3239
0.8699 High Similarity NPC282255
0.8473 Intermediate Similarity NPC160623
0.8438 Intermediate Similarity NPC293801
0.8417 Intermediate Similarity NPC215678
0.8417 Intermediate Similarity NPC274454
0.8409 Intermediate Similarity NPC59239
0.8397 Intermediate Similarity NPC99795
0.8385 Intermediate Similarity NPC148366
0.8385 Intermediate Similarity NPC311293
0.8372 Intermediate Similarity NPC82299
0.8357 Intermediate Similarity NPC153182
0.8357 Intermediate Similarity NPC174251
0.8346 Intermediate Similarity NPC177712
0.8346 Intermediate Similarity NPC24913
0.8346 Intermediate Similarity NPC57199
0.8333 Intermediate Similarity NPC282508
0.8321 Intermediate Similarity NPC265075
0.8309 Intermediate Similarity NPC470209
0.8308 Intermediate Similarity NPC473134
0.8308 Intermediate Similarity NPC473221
0.8296 Intermediate Similarity NPC191462
0.8296 Intermediate Similarity NPC472648
0.8296 Intermediate Similarity NPC472649
0.8296 Intermediate Similarity NPC206525
0.8296 Intermediate Similarity NPC170328
0.8296 Intermediate Similarity NPC133463
0.8296 Intermediate Similarity NPC472647
0.8295 Intermediate Similarity NPC124030
0.8295 Intermediate Similarity NPC105031
0.8273 Intermediate Similarity NPC473108
0.8271 Intermediate Similarity NPC472798
0.8258 Intermediate Similarity NPC27187
0.8258 Intermediate Similarity NPC470225
0.8244 Intermediate Similarity NPC38664
0.8244 Intermediate Similarity NPC53986
0.8244 Intermediate Similarity NPC38017
0.8244 Intermediate Similarity NPC215300
0.8235 Intermediate Similarity NPC472646
0.8235 Intermediate Similarity NPC71465
0.8231 Intermediate Similarity NPC170485
0.8227 Intermediate Similarity NPC474397
0.8222 Intermediate Similarity NPC37410
0.8222 Intermediate Similarity NPC258780
0.8209 Intermediate Similarity NPC185777
0.8195 Intermediate Similarity NPC118683
0.8195 Intermediate Similarity NPC12875
0.8195 Intermediate Similarity NPC150011
0.8195 Intermediate Similarity NPC17343
0.8195 Intermediate Similarity NPC207892
0.8195 Intermediate Similarity NPC293203
0.8195 Intermediate Similarity NPC211413
0.8195 Intermediate Similarity NPC164804
0.8195 Intermediate Similarity NPC129106
0.8195 Intermediate Similarity NPC280653
0.8195 Intermediate Similarity NPC237424
0.8195 Intermediate Similarity NPC129784
0.8195 Intermediate Similarity NPC268917
0.8195 Intermediate Similarity NPC238168
0.8195 Intermediate Similarity NPC228369
0.8195 Intermediate Similarity NPC271945
0.8195 Intermediate Similarity NPC476166
0.8195 Intermediate Similarity NPC244888
0.8195 Intermediate Similarity NPC164574
0.8195 Intermediate Similarity NPC118114
0.8195 Intermediate Similarity NPC68205
0.8195 Intermediate Similarity NPC181497
0.8195 Intermediate Similarity NPC196765
0.8195 Intermediate Similarity NPC300875
0.8195 Intermediate Similarity NPC206224
0.8195 Intermediate Similarity NPC236014
0.8182 Intermediate Similarity NPC93962
0.8182 Intermediate Similarity NPC205501
0.8182 Intermediate Similarity NPC162976
0.8182 Intermediate Similarity NPC118000
0.8182 Intermediate Similarity NPC472797
0.8182 Intermediate Similarity NPC16577
0.8175 Intermediate Similarity NPC32630
0.8168 Intermediate Similarity NPC53781
0.8162 Intermediate Similarity NPC472800
0.8156 Intermediate Similarity NPC471608
0.8156 Intermediate Similarity NPC233980
0.8154 Intermediate Similarity NPC105718
0.8154 Intermediate Similarity NPC278955
0.8148 Intermediate Similarity NPC225696
0.8148 Intermediate Similarity NPC97834
0.8148 Intermediate Similarity NPC223008
0.8148 Intermediate Similarity NPC198154
0.8148 Intermediate Similarity NPC115335
0.8148 Intermediate Similarity NPC296915
0.8143 Intermediate Similarity NPC473845
0.8134 Intermediate Similarity NPC13005
0.8134 Intermediate Similarity NPC321086
0.812 Intermediate Similarity NPC254000
0.8116 Intermediate Similarity NPC273623
0.8112 Intermediate Similarity NPC295573
0.8112 Intermediate Similarity NPC470208
0.8106 Intermediate Similarity NPC274717
0.8102 Intermediate Similarity NPC266006
0.8092 Intermediate Similarity NPC50315
0.8092 Intermediate Similarity NPC26879
0.8092 Intermediate Similarity NPC230479
0.8092 Intermediate Similarity NPC283049
0.8088 Intermediate Similarity NPC470351
0.8088 Intermediate Similarity NPC472370
0.8088 Intermediate Similarity NPC470350
0.8085 Intermediate Similarity NPC469557
0.808 Intermediate Similarity NPC115808
0.8077 Intermediate Similarity NPC228503
0.8077 Intermediate Similarity NPC138248
0.8074 Intermediate Similarity NPC469610
0.8074 Intermediate Similarity NPC77196
0.806 Intermediate Similarity NPC191395
0.806 Intermediate Similarity NPC8899
0.806 Intermediate Similarity NPC78575
0.8045 Intermediate Similarity NPC25729
0.8045 Intermediate Similarity NPC96719
0.8045 Intermediate Similarity NPC472796
0.8045 Intermediate Similarity NPC222108
0.8045 Intermediate Similarity NPC474494
0.8045 Intermediate Similarity NPC471519
0.8045 Intermediate Similarity NPC472795
0.8045 Intermediate Similarity NPC471518
0.8043 Intermediate Similarity NPC475836
0.803 Intermediate Similarity NPC66331
0.803 Intermediate Similarity NPC186889
0.803 Intermediate Similarity NPC257947
0.8029 Intermediate Similarity NPC234952
0.8029 Intermediate Similarity NPC141717
0.8029 Intermediate Similarity NPC30632
0.8029 Intermediate Similarity NPC156967
0.8029 Intermediate Similarity NPC472599
0.8016 Intermediate Similarity NPC470760
0.8015 Intermediate Similarity NPC103420
0.8015 Intermediate Similarity NPC113495
0.8015 Intermediate Similarity NPC285040
0.8015 Intermediate Similarity NPC102540
0.8015 Intermediate Similarity NPC188022
0.8015 Intermediate Similarity NPC17809
0.8014 Intermediate Similarity NPC36732
0.8 Intermediate Similarity NPC469611
0.7986 Intermediate Similarity NPC308768
0.7986 Intermediate Similarity NPC12668
0.7985 Intermediate Similarity NPC470727
0.7984 Intermediate Similarity NPC476633
0.7971 Intermediate Similarity NPC22902
0.7971 Intermediate Similarity NPC242715
0.7971 Intermediate Similarity NPC56329
0.797 Intermediate Similarity NPC39064
0.797 Intermediate Similarity NPC38604
0.797 Intermediate Similarity NPC47283
0.797 Intermediate Similarity NPC211179
0.797 Intermediate Similarity NPC223912
0.7969 Intermediate Similarity NPC135467
0.7969 Intermediate Similarity NPC260832
0.7956 Intermediate Similarity NPC125579
0.7956 Intermediate Similarity NPC473413
0.7956 Intermediate Similarity NPC11727
0.7956 Intermediate Similarity NPC241241
0.7956 Intermediate Similarity NPC15109
0.7955 Intermediate Similarity NPC276212
0.7953 Intermediate Similarity NPC9592
0.7953 Intermediate Similarity NPC48781
0.7945 Intermediate Similarity NPC160196
0.7945 Intermediate Similarity NPC325860
0.7943 Intermediate Similarity NPC472451
0.7941 Intermediate Similarity NPC85435
0.7941 Intermediate Similarity NPC92805
0.7939 Intermediate Similarity NPC246648
0.7939 Intermediate Similarity NPC86502
0.7939 Intermediate Similarity NPC106914
0.7939 Intermediate Similarity NPC134195
0.7939 Intermediate Similarity NPC224342
0.7939 Intermediate Similarity NPC197351
0.7931 Intermediate Similarity NPC158784
0.7929 Intermediate Similarity NPC71046
0.7926 Intermediate Similarity NPC103799
0.7926 Intermediate Similarity NPC312341
0.7926 Intermediate Similarity NPC473309
0.7926 Intermediate Similarity NPC471517
0.7926 Intermediate Similarity NPC472590
0.7923 Intermediate Similarity NPC18128
0.7923 Intermediate Similarity NPC77789
0.792 Intermediate Similarity NPC107240
0.7917 Intermediate Similarity NPC473876
0.7917 Intermediate Similarity NPC212142
0.7914 Intermediate Similarity NPC70682
0.7914 Intermediate Similarity NPC114171
0.7914 Intermediate Similarity NPC260741
0.7914 Intermediate Similarity NPC471183
0.7914 Intermediate Similarity NPC230124
0.7914 Intermediate Similarity NPC220344
0.7914 Intermediate Similarity NPC275061
0.7914 Intermediate Similarity NPC243996
0.7914 Intermediate Similarity NPC132804
0.7914 Intermediate Similarity NPC184613
0.7914 Intermediate Similarity NPC6300
0.7914 Intermediate Similarity NPC243759
0.7914 Intermediate Similarity NPC105847

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476653 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
0.8182 Intermediate Similarity NPD4625 Phase 3
0.812 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.797 Intermediate Similarity NPD4908 Phase 1
0.7727 Intermediate Similarity NPD4749 Approved
0.7721 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.771 Intermediate Similarity NPD1610 Phase 2
0.7656 Intermediate Similarity NPD7340 Approved
0.7647 Intermediate Similarity NPD6959 Discontinued
0.7559 Intermediate Similarity NPD1398 Phase 1
0.7556 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD6674 Discontinued
0.7552 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD4750 Phase 3
0.75 Intermediate Similarity NPD2861 Phase 2
0.7482 Intermediate Similarity NPD1613 Approved
0.7482 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD7635 Approved
0.7429 Intermediate Similarity NPD5124 Phase 1
0.7429 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD3027 Phase 3
0.7372 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7319 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD2533 Approved
0.7297 Intermediate Similarity NPD2534 Approved
0.7297 Intermediate Similarity NPD2532 Approved
0.7273 Intermediate Similarity NPD1548 Phase 1
0.7222 Intermediate Similarity NPD2342 Discontinued
0.7222 Intermediate Similarity NPD6100 Approved
0.7222 Intermediate Similarity NPD6099 Approved
0.7164 Intermediate Similarity NPD5125 Phase 3
0.7164 Intermediate Similarity NPD5126 Approved
0.7153 Intermediate Similarity NPD6696 Suspended
0.7143 Intermediate Similarity NPD5844 Phase 1
0.7114 Intermediate Similarity NPD7390 Discontinued
0.7113 Intermediate Similarity NPD4060 Phase 1
0.7101 Intermediate Similarity NPD3094 Phase 2
0.7092 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7228 Approved
0.7078 Intermediate Similarity NPD37 Approved
0.707 Intermediate Similarity NPD6234 Discontinued
0.7055 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD4965 Approved
0.7051 Intermediate Similarity NPD4967 Phase 2
0.7051 Intermediate Similarity NPD4966 Approved
0.7032 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD3091 Approved
0.7014 Intermediate Similarity NPD4097 Suspended
0.7 Intermediate Similarity NPD7041 Phase 2
0.7 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.6987 Remote Similarity NPD8443 Clinical (unspecified phase)
0.696 Remote Similarity NPD846 Approved
0.696 Remote Similarity NPD940 Approved
0.6954 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6948 Remote Similarity NPD4380 Phase 2
0.694 Remote Similarity NPD7644 Approved
0.6937 Remote Similarity NPD6232 Discontinued
0.6934 Remote Similarity NPD3092 Approved
0.6923 Remote Similarity NPD7819 Suspended
0.6918 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7473 Discontinued
0.6912 Remote Similarity NPD4626 Approved
0.6889 Remote Similarity NPD7741 Discontinued
0.6887 Remote Similarity NPD7212 Phase 2
0.6887 Remote Similarity NPD7213 Phase 3
0.6883 Remote Similarity NPD5808 Clinical (unspecified phase)
0.688 Remote Similarity NPD1242 Phase 1
0.6871 Remote Similarity NPD5406 Approved
0.6871 Remote Similarity NPD5404 Approved
0.6871 Remote Similarity NPD5408 Approved
0.6871 Remote Similarity NPD5405 Approved
0.6853 Remote Similarity NPD7985 Registered
0.6842 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7447 Phase 1
0.6842 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6838 Remote Similarity NPD5691 Approved
0.6832 Remote Similarity NPD7229 Phase 3
0.6832 Remote Similarity NPD5710 Approved
0.6832 Remote Similarity NPD5711 Approved
0.6824 Remote Similarity NPD7266 Discontinued
0.6803 Remote Similarity NPD4108 Discontinued
0.68 Remote Similarity NPD3892 Phase 2
0.68 Remote Similarity NPD3020 Approved
0.68 Remote Similarity NPD3750 Approved
0.6795 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6788 Remote Similarity NPD3095 Discontinued
0.6786 Remote Similarity NPD1283 Approved
0.6781 Remote Similarity NPD6651 Approved
0.6779 Remote Similarity NPD970 Clinical (unspecified phase)
0.6767 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6766 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6761 Remote Similarity NPD5736 Approved
0.6759 Remote Similarity NPD2238 Phase 2
0.6759 Remote Similarity NPD3620 Phase 2
0.6759 Remote Similarity NPD2979 Phase 3
0.6759 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6752 Remote Similarity NPD1934 Approved
0.6736 Remote Similarity NPD6859 Clinical (unspecified phase)
0.673 Remote Similarity NPD7768 Phase 2
0.673 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6718 Remote Similarity NPD3021 Approved
0.6718 Remote Similarity NPD3022 Approved
0.6715 Remote Similarity NPD1651 Approved
0.6714 Remote Similarity NPD5327 Phase 3
0.6712 Remote Similarity NPD5735 Approved
0.6711 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6711 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6709 Remote Similarity NPD1465 Phase 2
0.6708 Remote Similarity NPD5494 Approved
0.6707 Remote Similarity NPD7240 Approved
0.6707 Remote Similarity NPD6559 Discontinued
0.6691 Remote Similarity NPD1611 Approved
0.6689 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2286 Discontinued
0.6667 Remote Similarity NPD1549 Phase 2
0.6667 Remote Similarity NPD6671 Approved
0.6646 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6646 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6646 Remote Similarity NPD6166 Phase 2
0.6644 Remote Similarity NPD4140 Approved
0.6644 Remote Similarity NPD2438 Suspended
0.6643 Remote Similarity NPD3018 Phase 2
0.6641 Remote Similarity NPD5700 Clinical (unspecified phase)
0.664 Remote Similarity NPD288 Approved
0.6623 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6623 Remote Similarity NPD2800 Approved
0.6622 Remote Similarity NPD4536 Approved
0.6622 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6622 Remote Similarity NPD4538 Approved
0.6622 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6621 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6618 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6604 Remote Similarity NPD5929 Approved
0.66 Remote Similarity NPD5763 Approved
0.66 Remote Similarity NPD5762 Approved
0.6593 Remote Similarity NPD497 Approved
0.6584 Remote Similarity NPD7075 Discontinued
0.6582 Remote Similarity NPD7411 Suspended
0.6581 Remote Similarity NPD6090 Discontinued
0.6579 Remote Similarity NPD7466 Approved
0.6579 Remote Similarity NPD7003 Approved
0.6577 Remote Similarity NPD1510 Phase 2
0.6575 Remote Similarity NPD6407 Approved
0.6575 Remote Similarity NPD6663 Approved
0.6575 Remote Similarity NPD6405 Approved
0.6573 Remote Similarity NPD4624 Approved
0.6571 Remote Similarity NPD1281 Approved
0.6571 Remote Similarity NPD422 Phase 1
0.656 Remote Similarity NPD2859 Approved
0.656 Remote Similarity NPD2860 Approved
0.656 Remote Similarity NPD844 Approved
0.656 Remote Similarity NPD1809 Phase 2
0.6556 Remote Similarity NPD7037 Approved
0.6554 Remote Similarity NPD6353 Approved
0.6554 Remote Similarity NPD1607 Approved
0.6549 Remote Similarity NPD8651 Approved
0.6547 Remote Similarity NPD3019 Approved
0.6547 Remote Similarity NPD4059 Approved
0.6547 Remote Similarity NPD2932 Approved
0.6545 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6533 Remote Similarity NPD2935 Discontinued
0.6532 Remote Similarity NPD845 Approved
0.6527 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6519 Remote Similarity NPD496 Approved
0.6519 Remote Similarity NPD5283 Phase 1
0.6519 Remote Similarity NPD498 Approved
0.6519 Remote Similarity NPD495 Approved
0.6519 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6503 Remote Similarity NPD6746 Phase 2
0.65 Remote Similarity NPD8455 Phase 2
0.65 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6493 Remote Similarity NPD6124 Clinical (unspecified phase)
0.649 Remote Similarity NPD2346 Discontinued
0.6488 Remote Similarity NPD7074 Phase 3
0.6481 Remote Similarity NPD4381 Clinical (unspecified phase)
0.648 Remote Similarity NPD2933 Approved
0.648 Remote Similarity NPD2934 Approved
0.6479 Remote Similarity NPD2983 Phase 2
0.6479 Remote Similarity NPD2982 Phase 2
0.6479 Remote Similarity NPD1669 Approved
0.6475 Remote Similarity NPD4093 Discontinued
0.6467 Remote Similarity NPD5588 Approved
0.6467 Remote Similarity NPD1753 Discontinued
0.6467 Remote Similarity NPD5960 Phase 3
0.6467 Remote Similarity NPD3748 Approved
0.6463 Remote Similarity NPD7199 Phase 2
0.6458 Remote Similarity NPD6584 Phase 3
0.6456 Remote Similarity NPD4005 Discontinued
0.6454 Remote Similarity NPD1091 Approved
0.6454 Remote Similarity NPD3705 Approved
0.6443 Remote Similarity NPD2568 Approved
0.6442 Remote Similarity NPD5709 Phase 3
0.6433 Remote Similarity NPD8313 Approved
0.6433 Remote Similarity NPD8312 Approved
0.6429 Remote Similarity NPD7054 Approved
0.6429 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6424 Remote Similarity NPD2531 Phase 2
0.6424 Remote Similarity NPD3787 Discontinued

Structure

External Identifiers

PubChem CID   76316611
ChEMBL   CHEMBL2289720
ZINC  

Physicochemical Properties

Molecular Weight:  414.20
ALogP:  -0.5736
MLogP:  3.44
XLogP:  1.318
# Rotatable Bonds:  11
Polar Surface Area:  99.38
# H-Bond Aceptor:  2
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  30

Download Data

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