Natural Product: NPC472211

Natural Product ID:  NPC472211
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C31H40O8
Standard InCHIKey:  GQARNKWPEKMBHX-MTXKEFDESA-N
Standard InCHI:  InChI=1S/C31H40O8/c1-16(11-12-21(33)30(5,6)38)9-8-10-17(2)13-14-31(39-7)28(36)23-20(32)15-18(3)22-24(23)25(29(31)37)27(35)19(4)26(22)34/h9,13,15,21,32-35,38H,8,10-12,14H2,1-7H3/b16-9+,17-13+/t21-,31+/m1/s1
Canonical SMILES:  CO[C@@]1(C/C=C(/CC/C=C(/CC[C@H](C(O)(C)C)O)C)C)C(=O)c2c(O)cc(c3c2c(C1=O)c(O)c(c3O)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
NPO32482 Aspergillus sp. Under-species NA NA PMID[25375978]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 48400 nM 11325240
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 34200 nM 10757708

  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 NPC472211 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
0.9116 High Similarity NPC474961
0.8993 High Similarity NPC244691
0.8993 High Similarity NPC471906
0.8919 High Similarity NPC110810
0.8859 High Similarity NPC135524
0.8836 High Similarity NPC191976
0.8816 High Similarity NPC290194
0.8792 High Similarity NPC204045
0.8792 High Similarity NPC305845
0.875 High Similarity NPC136878
0.875 High Similarity NPC143685
0.8701 High Similarity NPC477221
0.8684 High Similarity NPC34482
0.8658 High Similarity NPC190457
0.863 High Similarity NPC267205
0.8627 High Similarity NPC470570
0.8627 High Similarity NPC285122
0.8618 High Similarity NPC227841
0.8618 High Similarity NPC48762
0.8609 High Similarity NPC193555
0.8571 High Similarity NPC34802
0.8562 High Similarity NPC170055
0.8562 High Similarity NPC12402
0.8545 High Similarity NPC473113
0.8544 High Similarity NPC68727
0.8535 High Similarity NPC268992
0.8535 High Similarity NPC51824
0.8535 High Similarity NPC113608
0.8535 High Similarity NPC470338
0.8535 High Similarity NPC470337
0.8533 High Similarity NPC242994
0.8533 High Similarity NPC138099
0.8526 High Similarity NPC280295
0.8523 High Similarity NPC53001
0.8523 High Similarity NPC471905
0.8516 High Similarity NPC112816
0.8514 High Similarity NPC283590
0.8514 High Similarity NPC130899
0.8514 High Similarity NPC70859
0.8514 High Similarity NPC61153
0.8503 High Similarity NPC314048
0.8497 Intermediate Similarity NPC79627
0.8497 Intermediate Similarity NPC84568
0.8497 Intermediate Similarity NPC29932
0.8497 Intermediate Similarity NPC300684
0.8497 Intermediate Similarity NPC193703
0.8497 Intermediate Similarity NPC48130
0.8497 Intermediate Similarity NPC218866
0.8497 Intermediate Similarity NPC21599
0.8491 Intermediate Similarity NPC474360
0.8491 Intermediate Similarity NPC474861
0.8487 Intermediate Similarity NPC73061
0.8477 Intermediate Similarity NPC181560
0.8477 Intermediate Similarity NPC169452
0.8476 Intermediate Similarity NPC472058
0.8476 Intermediate Similarity NPC234497
0.8476 Intermediate Similarity NPC470341
0.8476 Intermediate Similarity NPC324522
0.8476 Intermediate Similarity NPC105414
0.8471 Intermediate Similarity NPC35
0.8471 Intermediate Similarity NPC478148
0.8471 Intermediate Similarity NPC149526
0.8471 Intermediate Similarity NPC470569
0.8471 Intermediate Similarity NPC474417
0.8467 Intermediate Similarity NPC87723
0.8466 Intermediate Similarity NPC472049
0.8462 Intermediate Similarity NPC329933
0.8456 Intermediate Similarity NPC254847
0.8452 Intermediate Similarity NPC37709
0.8447 Intermediate Similarity NPC470810
0.8446 Intermediate Similarity NPC474519
0.8438 Intermediate Similarity NPC472889
0.8435 Intermediate Similarity NPC478190
0.8431 Intermediate Similarity NPC174905
0.8431 Intermediate Similarity NPC354984
0.8431 Intermediate Similarity NPC296752
0.8431 Intermediate Similarity NPC293545
0.8428 Intermediate Similarity NPC314257
0.8424 Intermediate Similarity NPC473095
0.8424 Intermediate Similarity NPC473096
0.8421 Intermediate Similarity NPC246638
0.8421 Intermediate Similarity NPC472904
0.8421 Intermediate Similarity NPC290550
0.8418 Intermediate Similarity NPC180944
0.8418 Intermediate Similarity NPC470340
0.8412 Intermediate Similarity NPC313452
0.8411 Intermediate Similarity NPC162939
0.8411 Intermediate Similarity NPC143438
0.8408 Intermediate Similarity NPC147735
0.8408 Intermediate Similarity NPC470568
0.84 Intermediate Similarity NPC53206
0.84 Intermediate Similarity NPC53414
0.84 Intermediate Similarity NPC170742
0.8397 Intermediate Similarity NPC471907
0.8395 Intermediate Similarity NPC219686
0.8389 Intermediate Similarity NPC249272
0.8387 Intermediate Similarity NPC473023
0.8385 Intermediate Similarity NPC324736
0.8385 Intermediate Similarity NPC228654
0.8383 Intermediate Similarity NPC470333
0.8378 Intermediate Similarity NPC139074
0.8378 Intermediate Similarity NPC213485
0.8378 Intermediate Similarity NPC40524
0.8377 Intermediate Similarity NPC10764
0.8373 Intermediate Similarity NPC478021
0.8366 Intermediate Similarity NPC308572
0.8366 Intermediate Similarity NPC137649
0.8366 Intermediate Similarity NPC85310
0.8365 Intermediate Similarity NPC155686
0.8365 Intermediate Similarity NPC474824
0.8365 Intermediate Similarity NPC218870
0.8365 Intermediate Similarity NPC210942
0.8365 Intermediate Similarity NPC169990
0.8365 Intermediate Similarity NPC470408
0.8365 Intermediate Similarity NPC193200
0.8365 Intermediate Similarity NPC137301
0.8365 Intermediate Similarity NPC182921
0.8365 Intermediate Similarity NPC471695
0.8364 Intermediate Similarity NPC107009
0.8364 Intermediate Similarity NPC473094
0.8354 Intermediate Similarity NPC472057
0.8354 Intermediate Similarity NPC472051
0.8354 Intermediate Similarity NPC232645
0.8354 Intermediate Similarity NPC205918
0.8354 Intermediate Similarity NPC72958
0.8353 Intermediate Similarity NPC315221
0.8344 Intermediate Similarity NPC315772
0.8344 Intermediate Similarity NPC475974
0.8344 Intermediate Similarity NPC472059
0.8344 Intermediate Similarity NPC211107
0.8333 Intermediate Similarity NPC472055
0.8333 Intermediate Similarity NPC477992
0.8333 Intermediate Similarity NPC118919
0.8333 Intermediate Similarity NPC284495
0.8333 Intermediate Similarity NPC477991
0.8323 Intermediate Similarity NPC282390
0.8323 Intermediate Similarity NPC246466
0.8323 Intermediate Similarity NPC474637
0.8323 Intermediate Similarity NPC294501
0.8323 Intermediate Similarity NPC281137
0.8322 Intermediate Similarity NPC12070
0.8322 Intermediate Similarity NPC166480
0.8322 Intermediate Similarity NPC282780
0.8322 Intermediate Similarity NPC270899
0.8313 Intermediate Similarity NPC469486
0.8313 Intermediate Similarity NPC317585
0.8313 Intermediate Similarity NPC69043
0.8313 Intermediate Similarity NPC208173
0.8313 Intermediate Similarity NPC478221
0.8313 Intermediate Similarity NPC478230
0.8313 Intermediate Similarity NPC264063
0.8313 Intermediate Similarity NPC170189
0.8312 Intermediate Similarity NPC313047
0.8312 Intermediate Similarity NPC295712
0.8312 Intermediate Similarity NPC474203
0.8312 Intermediate Similarity NPC84266
0.8312 Intermediate Similarity NPC451542
0.8303 Intermediate Similarity NPC178851
0.8302 Intermediate Similarity NPC478224
0.8302 Intermediate Similarity NPC87708
0.8302 Intermediate Similarity NPC115249
0.8301 Intermediate Similarity NPC187843
0.8299 Intermediate Similarity NPC259942
0.8299 Intermediate Similarity NPC147757
0.8293 Intermediate Similarity NPC474240
0.8293 Intermediate Similarity NPC472053
0.8291 Intermediate Similarity NPC290954
0.8291 Intermediate Similarity NPC225854
0.8291 Intermediate Similarity NPC255641
0.8289 Intermediate Similarity NPC472903
0.8286 Intermediate Similarity NPC314459
0.8286 Intermediate Similarity NPC470199
0.828 Intermediate Similarity NPC221352
0.828 Intermediate Similarity NPC142846
0.8278 Intermediate Similarity NPC474771
0.8278 Intermediate Similarity NPC149372
0.8278 Intermediate Similarity NPC474849
0.8278 Intermediate Similarity NPC475957
0.8278 Intermediate Similarity NPC178467
0.8278 Intermediate Similarity NPC65837
0.8274 Intermediate Similarity NPC472054
0.8274 Intermediate Similarity NPC470335
0.8274 Intermediate Similarity NPC470336
0.8274 Intermediate Similarity NPC154986
0.8272 Intermediate Similarity NPC470339
0.8272 Intermediate Similarity NPC85121
0.8269 Intermediate Similarity NPC314437
0.8269 Intermediate Similarity NPC472134
0.8263 Intermediate Similarity NPC313717
0.8263 Intermediate Similarity NPC315306
0.8261 Intermediate Similarity NPC20530
0.8261 Intermediate Similarity NPC215917
0.8261 Intermediate Similarity NPC10754
0.8255 Intermediate Similarity NPC114183
0.8255 Intermediate Similarity NPC48036
0.8255 Intermediate Similarity NPC180261
0.8255 Intermediate Similarity NPC37299
0.8253 Intermediate Similarity NPC474024
0.825 Intermediate Similarity NPC93552
0.825 Intermediate Similarity NPC329844

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472211 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
0.8618 High Similarity NPD7390 Discontinued
0.8456 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD6959 Discontinued
0.8084 Intermediate Similarity NPD7473 Discontinued
0.8012 Intermediate Similarity NPD6232 Discontinued
0.7988 Intermediate Similarity NPD7075 Discontinued
0.7975 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.795 Intermediate Similarity NPD4380 Phase 2
0.7914 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD6166 Phase 2
0.7811 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD5404 Approved
0.7806 Intermediate Similarity NPD5406 Approved
0.7806 Intermediate Similarity NPD5405 Approved
0.7806 Intermediate Similarity NPD5408 Approved
0.7805 Intermediate Similarity NPD7819 Suspended
0.7805 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD6801 Discontinued
0.7742 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD8150 Discontinued
0.7712 Intermediate Similarity NPD943 Approved
0.7687 Intermediate Similarity NPD1201 Approved
0.764 Intermediate Similarity NPD2533 Approved
0.764 Intermediate Similarity NPD2532 Approved
0.764 Intermediate Similarity NPD2534 Approved
0.7636 Intermediate Similarity NPD1934 Approved
0.76 Intermediate Similarity NPD1470 Approved
0.7576 Intermediate Similarity NPD7411 Suspended
0.7572 Intermediate Similarity NPD5844 Phase 1
0.7545 Intermediate Similarity NPD3817 Phase 2
0.7543 Intermediate Similarity NPD7251 Discontinued
0.7543 Intermediate Similarity NPD6559 Discontinued
0.7531 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD1510 Phase 2
0.7515 Intermediate Similarity NPD6599 Discontinued
0.75 Intermediate Similarity NPD3882 Suspended
0.75 Intermediate Similarity NPD7808 Phase 3
0.75 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1607 Approved
0.7486 Intermediate Similarity NPD6797 Phase 2
0.7485 Intermediate Similarity NPD1512 Approved
0.7473 Intermediate Similarity NPD6535 Approved
0.7473 Intermediate Similarity NPD6534 Approved
0.7456 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD3226 Approved
0.7446 Intermediate Similarity NPD7699 Phase 2
0.7446 Intermediate Similarity NPD7700 Phase 2
0.7433 Intermediate Similarity NPD7435 Discontinued
0.7429 Intermediate Similarity NPD7074 Phase 3
0.7421 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3300 Phase 2
0.7394 Intermediate Similarity NPD8319 Approved
0.7394 Intermediate Similarity NPD8320 Phase 1
0.7381 Intermediate Similarity NPD2801 Approved
0.7375 Intermediate Similarity NPD1549 Phase 2
0.7375 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD1240 Approved
0.7371 Intermediate Similarity NPD7054 Approved
0.7366 Intermediate Similarity NPD6777 Approved
0.7366 Intermediate Similarity NPD6780 Approved
0.7366 Intermediate Similarity NPD6778 Approved
0.7366 Intermediate Similarity NPD6781 Approved
0.7366 Intermediate Similarity NPD6782 Approved
0.7366 Intermediate Similarity NPD6779 Approved
0.7366 Intermediate Similarity NPD6776 Approved
0.7362 Intermediate Similarity NPD6799 Approved
0.7362 Intermediate Similarity NPD1511 Approved
0.7346 Intermediate Similarity NPD6190 Approved
0.7337 Intermediate Similarity NPD5402 Approved
0.733 Intermediate Similarity NPD7472 Approved
0.7314 Intermediate Similarity NPD3818 Discontinued
0.7303 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD7768 Phase 2
0.7294 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD6651 Approved
0.7253 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD2796 Approved
0.725 Intermediate Similarity NPD2935 Discontinued
0.7249 Intermediate Similarity NPD7696 Phase 3
0.7249 Intermediate Similarity NPD7698 Approved
0.7249 Intermediate Similarity NPD7697 Approved
0.724 Intermediate Similarity NPD8151 Discontinued
0.7229 Intermediate Similarity NPD5403 Approved
0.7216 Intermediate Similarity NPD3751 Discontinued
0.7211 Intermediate Similarity NPD7870 Phase 2
0.7211 Intermediate Similarity NPD7871 Phase 2
0.7202 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD7874 Approved
0.7191 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7701 Phase 2
0.7184 Intermediate Similarity NPD3787 Discontinued
0.7168 Intermediate Similarity NPD5494 Approved
0.7167 Intermediate Similarity NPD8313 Approved
0.7167 Intermediate Similarity NPD8312 Approved
0.7167 Intermediate Similarity NPD5035 Approved
0.7151 Intermediate Similarity NPD3749 Approved
0.7143 Intermediate Similarity NPD6099 Approved
0.7143 Intermediate Similarity NPD6100 Approved
0.7126 Intermediate Similarity NPD1247 Approved
0.7118 Intermediate Similarity NPD37 Approved
0.7117 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD2800 Approved
0.7108 Intermediate Similarity NPD5401 Approved
0.7086 Intermediate Similarity NPD5710 Approved
0.7086 Intermediate Similarity NPD5711 Approved
0.7077 Intermediate Similarity NPD7801 Approved
0.7049 Intermediate Similarity NPD8434 Phase 2
0.7041 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD1164 Approved
0.7021 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD4955 Approved
0.7017 Intermediate Similarity NPD5034 Approved
0.7017 Intermediate Similarity NPD5026 Approved
0.7017 Intermediate Similarity NPD4954 Approved
0.7017 Intermediate Similarity NPD36 Approved
0.7017 Intermediate Similarity NPD5028 Approved
0.7016 Intermediate Similarity NPD6823 Phase 2
0.7011 Intermediate Similarity NPD6234 Discontinued
0.7 Intermediate Similarity NPD230 Phase 1
0.7 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.6995 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6994 Remote Similarity NPD2346 Discontinued
0.6994 Remote Similarity NPD4966 Approved
0.6994 Remote Similarity NPD4965 Approved
0.6994 Remote Similarity NPD4967 Phase 2
0.699 Remote Similarity NPD7783 Phase 2
0.699 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6977 Remote Similarity NPD1465 Phase 2
0.697 Remote Similarity NPD4628 Phase 3
0.697 Remote Similarity NPD3750 Approved
0.6961 Remote Similarity NPD5030 Phase 2
0.6961 Remote Similarity NPD5039 Approved
0.6957 Remote Similarity NPD5038 Approved
0.6957 Remote Similarity NPD5037 Approved
0.6952 Remote Similarity NPD6212 Phase 3
0.6952 Remote Similarity NPD6213 Phase 3
0.6952 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6949 Remote Similarity NPD3926 Phase 2
0.6944 Remote Similarity NPD4956 Approved
0.6941 Remote Similarity NPD7458 Discontinued
0.6927 Remote Similarity NPD7228 Approved
0.6914 Remote Similarity NPD919 Approved
0.6907 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6902 Remote Similarity NPD5036 Approved
0.689 Remote Similarity NPD1471 Phase 3
0.6867 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7003 Approved
0.6863 Remote Similarity NPD3019 Approved
0.6855 Remote Similarity NPD4625 Phase 3
0.6854 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6847 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6839 Remote Similarity NPD9269 Phase 2
0.6831 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6829 Remote Similarity NPD1551 Phase 2
0.6821 Remote Similarity NPD405 Clinical (unspecified phase)
0.6815 Remote Similarity NPD3094 Phase 2
0.6813 Remote Similarity NPD3764 Approved
0.6805 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7229 Phase 3
0.6797 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6796 Remote Similarity NPD6020 Phase 2
0.6788 Remote Similarity NPD2344 Approved
0.6786 Remote Similarity NPD7236 Approved
0.6784 Remote Similarity NPD7239 Suspended
0.677 Remote Similarity NPD6663 Approved
0.6766 Remote Similarity NPD8166 Discontinued
0.6766 Remote Similarity NPD3400 Discontinued
0.6766 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6753 Remote Similarity NPD2932 Approved
0.6742 Remote Similarity NPD7199 Phase 2
0.6739 Remote Similarity NPD5032 Approved
0.673 Remote Similarity NPD5736 Approved
0.6728 Remote Similarity NPD4060 Phase 1
0.6725 Remote Similarity NPD920 Approved
0.6725 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6721 Remote Similarity NPD5953 Discontinued
0.6708 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6707 Remote Similarity NPD1243 Approved
0.6703 Remote Similarity NPD7286 Phase 2
0.6689 Remote Similarity NPD4750 Phase 3
0.6688 Remote Similarity NPD1651 Approved
0.6688 Remote Similarity NPD9268 Approved
0.6685 Remote Similarity NPD5027 Approved
0.6685 Remote Similarity NPD5029 Approved
0.6685 Remote Similarity NPD5031 Approved
0.6685 Remote Similarity NPD5033 Approved
0.6667 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD7635 Approved
0.6667 Remote Similarity NPD3092 Approved
0.6667 Remote Similarity NPD2799 Discontinued
0.6649 Remote Similarity NPD4360 Phase 2
0.6649 Remote Similarity NPD4363 Phase 3
0.6648 Remote Similarity NPD7893 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3352969
ZINC  

Physicochemical Properties

Molecular Weight:  540.27
ALogP:  0.6451
MLogP:  3.99
XLogP:  2.143
# Rotatable Bonds:  22
Polar Surface Area:  144.52
# H-Bond Aceptor:  5
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  39

Download Data

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