ID: 43870
SMILES:C(C=C(C)C)CC(=CCCC(=CCc1c(O)cc(CCc2ccc(O)c(O)c2)cc1O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -17.946
InChIKey:QGVQNZLGXFEIHT-UHFFFAOYSA-N
ID: 43871
SMILES:C12(O)C3=C(C(=O)O1)CCCC3C(C)(C)Oc1c-2c(CCC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -15.103
InChIKey:ZOYNCTQGYGQILF-UHFFFAOYSA-N
ID: 43872
SMILES:C1(C)=CCC2C(C)(C)Oc3c(c(O)cc(CC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.585
InChIKey:DNTBFILTGOCICF-UHFFFAOYSA-N
ID: 43873
SMILES:C(C(C)=CCCC1(C)Oc2c(c(O)cc(CCCC(O)C)c2)C=C1)CC1OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.577
InChIKey:MKWAFXBGELOVQY-UHFFFAOYSA-N
ID: 43874
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.296
CB1 binding score: -17.978
InChIKey:CHBXMMKWGIOKEK-UHFFFAOYSA-N
ID: 43875
SMILES:C1(CC=C(C)C)C(C)(C)Oc2cc(C)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 246.35
CB1 binding score: -17.652
InChIKey:FRZIZPCHLXOTOT-UHFFFAOYSA-N
ID: 43876
SMILES:Cc1oc(C2CC(C)=CC(c3c(O)ccc(CCN(C)C)c3)C2C(C)=C)c(C(=O)OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 437.58
CB1 binding score: -16.526
InChIKey:JWRMNXVZKBILJC-UHFFFAOYSA-N
ID: 43877
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.517
InChIKey:LRWSVBAUTKTIAL-UHFFFAOYSA-N
ID: 43878
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1=C(C(C)(C)O2)C(C)CC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.514
InChIKey:PHFOKBJYKWYGAN-UHFFFAOYSA-N
ID: 43879
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(CCC(CO)=CCC1)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.45
InChIKey:LJPPBJLXURGKCS-UHFFFAOYSA-N
ID: 43880
SMILES:C=C1C(O)CC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.466
InChIKey:XJTIBZZEXPZMQO-UHFFFAOYSA-N
ID: 43881
SMILES:C1C(C)c2c(O)cc(C)cc2OCC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -13.032
InChIKey:BIVOXOCRAXGHNI-UHFFFAOYSA-N
ID: 43882
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 43883
SMILES:c12c(c(O)cc(CCCC)c1)C1C(C(=C)C)CCC2(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -15.63
InChIKey:CDCWYFYOWTWHKS-UHFFFAOYSA-N
ID: 43884
SMILES:C1C2(C)C(C3(C)C(O)C4c5c(O)cc(CCCCC)cc5OC41C(C)CC3)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -16.014
InChIKey:ANOOOBYIVCAHIO-UHFFFAOYSA-N
ID: 43885
SMILES:CC(=CCC12C(=O)C(c3cc(CC=C(C)CCC=C(C)C)cc(O)c3O)=C(c3c(c(CCCCC)cc(O)c3)O1)C(=O)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 600.752
CB1 binding score: -16.741
InChIKey:JDQACUULSMCGIA-UHFFFAOYSA-N
ID: 43886
SMILES:CC12CC3C(C(C)(C)Oc4c5c(O)cc(CCCCC)cc514)C(C=O)=CCC32
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -17.521
InChIKey:SFZIPJDXWUALEN-UHFFFAOYSA-N
ID: 43887
SMILES:O=CC12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.997
InChIKey:TYMCAZXJLONQSU-UHFFFAOYSA-N
ID: 43888
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 43889
SMILES:Oc1c2c(c(C=O)c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.852
InChIKey:ARNYLNCSQZNLEB-UHFFFAOYSA-N
ID: 43890
SMILES:CC12CC3C(C(O)C1O2)C(C)(C)Oc1cc(CCCCC)cc(O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.389
InChIKey:BKRJDEYKZYPVHV-UHFFFAOYSA-N