Natural Product: NPC318081

Natural Product ID:  NPC318081
Common Name:   Hypocrellin D
IUPAC Name:  
Synonyms:   Hypocrellin D
Molecular Formula:   C30H26O12
Standard InCHIKey:  UVHNWRDTZAYVST-DJUQAAIZSA-N
Standard InCHI:  InChI=1S/C30H26O12/c1-10(31)23-22-19(21-18(27(37)29(22)42-6)13(33)8-15(40-4)25(21)35)16-11(9-30(23,2)38)28(41-5)26(36)17-12(32)7-14(39-3)24(34)20(16)17/h7-8,23,36-38H,9H2,1-6H3/t23-,30+/m1/s1
Canonical SMILES:  COc1c(O)c2C(=O)C=C(C(=O)c2c2c1C[C@](C)(O)[C@@H](c1c2c2C(=O)C(=CC(=O)c2c(c1OC)O)OC)C(=O)C)OC
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
NPO19084 Shiraia bambusicola Species NA Eukaryota fruit body PMID[16915819]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 1.8 ug/ml 17618015
NPT81 Cell Line A549 Homo sapiens IC50 = 8.8 ug/ml 17618015
NPT2 Others Unspecified IC50 = 38.4 ug/ml 17618015

  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 NPC318081 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
0.8854 High Similarity NPC144283
0.8734 High Similarity NPC302783
0.8734 High Similarity NPC473201
0.872 High Similarity NPC26386
0.8718 High Similarity NPC58373
0.865 High Similarity NPC219686
0.8642 High Similarity NPC245891
0.8642 High Similarity NPC104876
0.8616 High Similarity NPC75377
0.8616 High Similarity NPC472838
0.8616 High Similarity NPC306011
0.858 High Similarity NPC474637
0.858 High Similarity NPC37543
0.858 High Similarity NPC199463
0.858 High Similarity NPC245975
0.8571 High Similarity NPC473113
0.8553 High Similarity NPC58310
0.8553 High Similarity NPC31132
0.8553 High Similarity NPC295977
0.8519 High Similarity NPC77807
0.8519 High Similarity NPC279605
0.8519 High Similarity NPC5379
0.8519 High Similarity NPC14561
0.8516 High Similarity NPC11314
0.8476 Intermediate Similarity NPC141574
0.8476 Intermediate Similarity NPC84571
0.8466 Intermediate Similarity NPC178976
0.8462 Intermediate Similarity NPC50954
0.8457 Intermediate Similarity NPC234485
0.8447 Intermediate Similarity NPC180388
0.8447 Intermediate Similarity NPC164912
0.8424 Intermediate Similarity NPC311740
0.8415 Intermediate Similarity NPC315157
0.8415 Intermediate Similarity NPC477410
0.8415 Intermediate Similarity NPC228654
0.8395 Intermediate Similarity NPC127172
0.8395 Intermediate Similarity NPC107109
0.8395 Intermediate Similarity NPC273248
0.8385 Intermediate Similarity NPC118427
0.8383 Intermediate Similarity NPC472057
0.8383 Intermediate Similarity NPC472051
0.8375 Intermediate Similarity NPC134293
0.8354 Intermediate Similarity NPC73416
0.8354 Intermediate Similarity NPC160777
0.8344 Intermediate Similarity NPC143898
0.8343 Intermediate Similarity NPC473095
0.8343 Intermediate Similarity NPC473096
0.8333 Intermediate Similarity NPC137125
0.8333 Intermediate Similarity NPC263212
0.8333 Intermediate Similarity NPC161778
0.8333 Intermediate Similarity NPC3744
0.8323 Intermediate Similarity NPC270837
0.8323 Intermediate Similarity NPC476822
0.8313 Intermediate Similarity NPC112816
0.8313 Intermediate Similarity NPC87431
0.8313 Intermediate Similarity NPC470479
0.8304 Intermediate Similarity NPC154986
0.8303 Intermediate Similarity NPC45846
0.8295 Intermediate Similarity NPC174486
0.8293 Intermediate Similarity NPC288353
0.8293 Intermediate Similarity NPC478223
0.8293 Intermediate Similarity NPC474167
0.8293 Intermediate Similarity NPC470762
0.8291 Intermediate Similarity NPC29932
0.8291 Intermediate Similarity NPC309169
0.8291 Intermediate Similarity NPC196941
0.8284 Intermediate Similarity NPC324522
0.8284 Intermediate Similarity NPC474024
0.8284 Intermediate Similarity NPC470341
0.8284 Intermediate Similarity NPC472058
0.8284 Intermediate Similarity NPC105414
0.8284 Intermediate Similarity NPC473094
0.8284 Intermediate Similarity NPC95715
0.8284 Intermediate Similarity NPC234497
0.8282 Intermediate Similarity NPC93552
0.8276 Intermediate Similarity NPC475996
0.8274 Intermediate Similarity NPC303174
0.8272 Intermediate Similarity NPC70320
0.8272 Intermediate Similarity NPC474414
0.8263 Intermediate Similarity NPC472059
0.8263 Intermediate Similarity NPC294965
0.8263 Intermediate Similarity NPC144843
0.8261 Intermediate Similarity NPC303989
0.8253 Intermediate Similarity NPC155302
0.8253 Intermediate Similarity NPC185617
0.8253 Intermediate Similarity NPC472962
0.8253 Intermediate Similarity NPC161947
0.8253 Intermediate Similarity NPC472961
0.825 Intermediate Similarity NPC52692
0.8249 Intermediate Similarity NPC205721
0.8246 Intermediate Similarity NPC158226
0.8242 Intermediate Similarity NPC283301
0.8242 Intermediate Similarity NPC296044
0.8242 Intermediate Similarity NPC167098
0.8242 Intermediate Similarity NPC302258
0.8235 Intermediate Similarity NPC476637
0.8232 Intermediate Similarity NPC472048
0.8229 Intermediate Similarity NPC182693
0.8225 Intermediate Similarity NPC37870
0.8225 Intermediate Similarity NPC43319
0.8225 Intermediate Similarity NPC477517
0.8225 Intermediate Similarity NPC20237
0.8225 Intermediate Similarity NPC191012
0.8221 Intermediate Similarity NPC312338
0.8221 Intermediate Similarity NPC149889
0.8217 Intermediate Similarity NPC84273
0.8214 Intermediate Similarity NPC475055
0.8214 Intermediate Similarity NPC477689
0.8214 Intermediate Similarity NPC41301
0.8214 Intermediate Similarity NPC208120
0.8214 Intermediate Similarity NPC173587
0.8214 Intermediate Similarity NPC29055
0.8214 Intermediate Similarity NPC248638
0.8214 Intermediate Similarity NPC472053
0.8214 Intermediate Similarity NPC152659
0.8214 Intermediate Similarity NPC236521
0.8214 Intermediate Similarity NPC249181
0.8214 Intermediate Similarity NPC236132
0.821 Intermediate Similarity NPC475718
0.821 Intermediate Similarity NPC103509
0.821 Intermediate Similarity NPC472279
0.8204 Intermediate Similarity NPC66288
0.8204 Intermediate Similarity NPC478134
0.8204 Intermediate Similarity NPC61010
0.8198 Intermediate Similarity NPC199357
0.8187 Intermediate Similarity NPC136878
0.8182 Intermediate Similarity NPC25850
0.8182 Intermediate Similarity NPC276815
0.8176 Intermediate Similarity NPC126204
0.8176 Intermediate Similarity NPC218226
0.8176 Intermediate Similarity NPC186392
0.8176 Intermediate Similarity NPC283041
0.8176 Intermediate Similarity NPC472836
0.8176 Intermediate Similarity NPC232936
0.8176 Intermediate Similarity NPC45760
0.8176 Intermediate Similarity NPC469521
0.8176 Intermediate Similarity NPC275278
0.8171 Intermediate Similarity NPC155686
0.8171 Intermediate Similarity NPC312482
0.8166 Intermediate Similarity NPC472450
0.8166 Intermediate Similarity NPC21016
0.8166 Intermediate Similarity NPC472049
0.8166 Intermediate Similarity NPC146584
0.8166 Intermediate Similarity NPC275780
0.8166 Intermediate Similarity NPC25361
0.8166 Intermediate Similarity NPC191930
0.8166 Intermediate Similarity NPC239752
0.8166 Intermediate Similarity NPC62261
0.8165 Intermediate Similarity NPC192597
0.8165 Intermediate Similarity NPC229218
0.8165 Intermediate Similarity NPC201297
0.8165 Intermediate Similarity NPC141817
0.8165 Intermediate Similarity NPC176030
0.8165 Intermediate Similarity NPC169214
0.8161 Intermediate Similarity NPC246877
0.8161 Intermediate Similarity NPC23553
0.8161 Intermediate Similarity NPC47191
0.8161 Intermediate Similarity NPC221820
0.8161 Intermediate Similarity NPC470334
0.8161 Intermediate Similarity NPC77179
0.816 Intermediate Similarity NPC78505
0.816 Intermediate Similarity NPC124842
0.816 Intermediate Similarity NPC272566
0.8155 Intermediate Similarity NPC469472
0.8155 Intermediate Similarity NPC25152
0.8155 Intermediate Similarity NPC474150
0.8155 Intermediate Similarity NPC474162
0.8155 Intermediate Similarity NPC149389
0.8148 Intermediate Similarity NPC80370
0.8144 Intermediate Similarity NPC56085
0.8144 Intermediate Similarity NPC47623
0.8144 Intermediate Similarity NPC471973
0.8144 Intermediate Similarity NPC14353
0.8144 Intermediate Similarity NPC246478
0.8144 Intermediate Similarity NPC228785
0.8144 Intermediate Similarity NPC284495
0.8133 Intermediate Similarity NPC78103
0.8133 Intermediate Similarity NPC136674
0.8129 Intermediate Similarity NPC213416
0.8129 Intermediate Similarity NPC99613
0.8129 Intermediate Similarity NPC475805
0.8129 Intermediate Similarity NPC247136
0.8129 Intermediate Similarity NPC49487
0.8129 Intermediate Similarity NPC188079
0.8129 Intermediate Similarity NPC165979
0.8129 Intermediate Similarity NPC163130
0.8125 Intermediate Similarity NPC225351
0.8125 Intermediate Similarity NPC228209
0.8125 Intermediate Similarity NPC246153
0.8125 Intermediate Similarity NPC28632
0.8125 Intermediate Similarity NPC8927
0.8121 Intermediate Similarity NPC130589
0.8121 Intermediate Similarity NPC226656
0.8121 Intermediate Similarity NPC256925
0.8121 Intermediate Similarity NPC134287
0.8121 Intermediate Similarity NPC268008
0.8121 Intermediate Similarity NPC66508
0.8118 Intermediate Similarity NPC470462
0.8118 Intermediate Similarity NPC39091
0.8114 Intermediate Similarity NPC212290

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC318081 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
0.8333 Intermediate Similarity NPD7473 Discontinued
0.8263 Intermediate Similarity NPD6232 Discontinued
0.8079 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD3882 Suspended
0.7746 Intermediate Similarity NPD6166 Phase 2
0.7746 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD2801 Approved
0.7738 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD1934 Approved
0.7674 Intermediate Similarity NPD6959 Discontinued
0.7633 Intermediate Similarity NPD1465 Phase 2
0.7611 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7605 Intermediate Similarity NPD3226 Approved
0.7588 Intermediate Similarity NPD3817 Phase 2
0.7576 Intermediate Similarity NPD2533 Approved
0.7576 Intermediate Similarity NPD2534 Approved
0.7576 Intermediate Similarity NPD2532 Approved
0.7569 Intermediate Similarity NPD8150 Discontinued
0.756 Intermediate Similarity NPD4380 Phase 2
0.753 Intermediate Similarity NPD1512 Approved
0.7514 Intermediate Similarity NPD5494 Approved
0.7514 Intermediate Similarity NPD5844 Phase 1
0.75 Intermediate Similarity NPD7075 Discontinued
0.747 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD3818 Discontinued
0.7444 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD6797 Phase 2
0.741 Intermediate Similarity NPD1511 Approved
0.7389 Intermediate Similarity NPD7251 Discontinued
0.7374 Intermediate Similarity NPD7074 Phase 3
0.7368 Intermediate Similarity NPD6801 Discontinued
0.7365 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD2346 Discontinued
0.7348 Intermediate Similarity NPD7808 Phase 3
0.7346 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6651 Approved
0.7326 Intermediate Similarity NPD7819 Suspended
0.7326 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD7054 Approved
0.7316 Intermediate Similarity NPD6777 Approved
0.7316 Intermediate Similarity NPD6780 Approved
0.7316 Intermediate Similarity NPD6776 Approved
0.7316 Intermediate Similarity NPD6778 Approved
0.7316 Intermediate Similarity NPD6779 Approved
0.7316 Intermediate Similarity NPD6781 Approved
0.7316 Intermediate Similarity NPD6782 Approved
0.7305 Intermediate Similarity NPD7390 Discontinued
0.7292 Intermediate Similarity NPD7435 Discontinued
0.7288 Intermediate Similarity NPD3926 Phase 2
0.7278 Intermediate Similarity NPD7472 Approved
0.7273 Intermediate Similarity NPD2800 Approved
0.7263 Intermediate Similarity NPD3751 Discontinued
0.7251 Intermediate Similarity NPD6599 Discontinued
0.7246 Intermediate Similarity NPD3300 Phase 2
0.7239 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1607 Approved
0.7213 Intermediate Similarity NPD8312 Approved
0.7213 Intermediate Similarity NPD8313 Approved
0.7195 Intermediate Similarity NPD2935 Discontinued
0.7189 Intermediate Similarity NPD8434 Phase 2
0.7184 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD1247 Approved
0.7159 Intermediate Similarity NPD6234 Discontinued
0.7143 Intermediate Similarity NPD6534 Approved
0.7143 Intermediate Similarity NPD6535 Approved
0.7134 Intermediate Similarity NPD2799 Discontinued
0.7134 Intermediate Similarity NPD1510 Phase 2
0.7126 Intermediate Similarity NPD7003 Approved
0.712 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7697 Approved
0.7113 Intermediate Similarity NPD7696 Phase 3
0.7113 Intermediate Similarity NPD7698 Approved
0.7108 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD6559 Discontinued
0.7102 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD6799 Approved
0.7099 Intermediate Similarity NPD943 Approved
0.7099 Intermediate Similarity NPD1240 Approved
0.7093 Intermediate Similarity NPD7458 Discontinued
0.7091 Intermediate Similarity NPD5405 Approved
0.7091 Intermediate Similarity NPD5408 Approved
0.7091 Intermediate Similarity NPD5406 Approved
0.7091 Intermediate Similarity NPD5404 Approved
0.7089 Intermediate Similarity NPD1470 Approved
0.7086 Intermediate Similarity NPD5402 Approved
0.7083 Intermediate Similarity NPD6190 Approved
0.7077 Intermediate Similarity NPD7870 Phase 2
0.7077 Intermediate Similarity NPD7871 Phase 2
0.7071 Intermediate Similarity NPD7874 Approved
0.7071 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD37 Approved
0.7062 Intermediate Similarity NPD919 Approved
0.7056 Intermediate Similarity NPD7701 Phase 2
0.7048 Intermediate Similarity NPD2344 Approved
0.7039 Intermediate Similarity NPD5711 Approved
0.7039 Intermediate Similarity NPD5710 Approved
0.7035 Intermediate Similarity NPD7801 Approved
0.7031 Intermediate Similarity NPD7700 Phase 2
0.7031 Intermediate Similarity NPD7699 Phase 2
0.7024 Intermediate Similarity NPD4628 Phase 3
0.702 Intermediate Similarity NPD8151 Discontinued
0.7011 Intermediate Similarity NPD7685 Pre-registration
0.7011 Intermediate Similarity NPD7411 Suspended
0.7006 Intermediate Similarity NPD3749 Approved
0.7 Intermediate Similarity NPD9494 Approved
0.699 Remote Similarity NPD8320 Phase 1
0.699 Remote Similarity NPD8319 Approved
0.6978 Remote Similarity NPD7228 Approved
0.6966 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6964 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6962 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6961 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6949 Remote Similarity NPD4965 Approved
0.6949 Remote Similarity NPD4967 Phase 2
0.6949 Remote Similarity NPD4966 Approved
0.6946 Remote Similarity NPD1471 Phase 3
0.6944 Remote Similarity NPD3787 Discontinued
0.6923 Remote Similarity NPD3750 Approved
0.6906 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6905 Remote Similarity NPD1549 Phase 2
0.6901 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7907 Approved
0.689 Remote Similarity NPD4060 Phase 1
0.6882 Remote Similarity NPD2309 Approved
0.6879 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6879 Remote Similarity NPD5403 Approved
0.6872 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6871 Remote Similarity NPD2313 Discontinued
0.6864 Remote Similarity NPD6674 Discontinued
0.6857 Remote Similarity NPD7028 Phase 2
0.6854 Remote Similarity NPD7768 Phase 2
0.6845 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6845 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6835 Remote Similarity NPD1201 Approved
0.6832 Remote Similarity NPD2798 Approved
0.6824 Remote Similarity NPD8166 Discontinued
0.6813 Remote Similarity NPD1283 Approved
0.6802 Remote Similarity NPD3057 Approved
0.6802 Remote Similarity NPD6823 Phase 2
0.68 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6796 Remote Similarity NPD4111 Phase 1
0.6796 Remote Similarity NPD4665 Approved
0.6786 Remote Similarity NPD6099 Approved
0.6786 Remote Similarity NPD2796 Approved
0.6786 Remote Similarity NPD6100 Approved
0.6763 Remote Similarity NPD5401 Approved
0.6752 Remote Similarity NPD1651 Approved
0.6747 Remote Similarity NPD230 Phase 1
0.6747 Remote Similarity NPD447 Suspended
0.6746 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6736 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6736 Remote Similarity NPD6212 Phase 3
0.6736 Remote Similarity NPD6213 Phase 3
0.6731 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6729 Remote Similarity NPD7922 Phase 1
0.6725 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6717 Remote Similarity NPD2972 Approved
0.6717 Remote Similarity NPD2491 Approved
0.6717 Remote Similarity NPD3533 Approved
0.6703 Remote Similarity NPD7177 Discontinued
0.6703 Remote Similarity NPD7199 Phase 2
0.6703 Remote Similarity NPD8127 Discontinued
0.67 Remote Similarity NPD7211 Clinical (unspecified phase)
0.67 Remote Similarity NPD7783 Phase 2
0.67 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6687 Remote Similarity NPD3972 Approved
0.6685 Remote Similarity NPD2403 Approved
0.6667 Remote Similarity NPD3764 Approved
0.6667 Remote Similarity NPD2494 Approved
0.6667 Remote Similarity NPD2493 Approved
0.665 Remote Similarity NPD4582 Approved
0.665 Remote Similarity NPD4583 Approved
0.6649 Remote Similarity NPD5027 Approved
0.6649 Remote Similarity NPD5031 Approved
0.6649 Remote Similarity NPD5029 Approved
0.6647 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6633 Remote Similarity NPD3448 Approved
0.6632 Remote Similarity NPD2490 Approved
0.6632 Remote Similarity NPD2488 Approved
0.6629 Remote Similarity NPD5049 Phase 3
0.6628 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6627 Remote Similarity NPD3748 Approved
0.6625 Remote Similarity NPD1281 Approved
0.6614 Remote Similarity NPD36 Approved
0.6614 Remote Similarity NPD4954 Approved
0.6614 Remote Similarity NPD5028 Approved
0.6614 Remote Similarity NPD4955 Approved
0.6614 Remote Similarity NPD5026 Approved
0.6614 Remote Similarity NPD5034 Approved
0.6611 Remote Similarity NPD5978 Approved
0.6611 Remote Similarity NPD5977 Approved
0.6606 Remote Similarity NPD3027 Phase 3
0.6605 Remote Similarity NPD1876 Approved
0.66 Remote Similarity NPD4004 Approved

Structure

External Identifiers

PubChem CID   12004204
ChEMBL   CHEMBL501376
ZINC  

Physicochemical Properties

Molecular Weight:  578.14
ALogP:  -2.7375
MLogP:  3.44
XLogP:  -0.715
# Rotatable Bonds:  14
Polar Surface Area:  182.96
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  42

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