ID: 94312
SMILES:C1CCCC12c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.357
InChIKey:PEQYMWNSTRXPIO-UHFFFAOYSA-N
ID: 94313
SMILES:C1CC(C(C)C)CC2c3c(O)cc(CCCCC)cc3OC(C)(OCC1(O)C)N2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 405.579
CB1 binding score: -15.718
InChIKey:CAKNKVKXJGVABD-UHFFFAOYSA-N
ID: 94314
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 94315
SMILES:C(CCCC)Oc1c2c(c(O)c(CC=C(C)CCC=C(C)C)c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -14.75
InChIKey:IVQMLBUJQJUTBE-UHFFFAOYSA-N
ID: 94316
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)cc(C)c(OC(C)=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.803
InChIKey:PEAVXEHUMHXIHB-UHFFFAOYSA-N
ID: 94317
SMILES:Brc1cc(C2(O)CCOC(C)(C)C2)cc(CCCCCCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 411.424
CB1 binding score: -13.808
InChIKey:UBSJLNSROXADIL-UHFFFAOYSA-N
ID: 94318
SMILES:C(C=C(C)C1OC2(C)CCC1C(C)(C)O2)CC(C)=CCc1cc(O)c(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.467
InChIKey:RCJIGMGIGQCBSX-UHFFFAOYSA-N
ID: 94319
SMILES:C1CC(C)=CC2c3c(cc(CCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 94320
SMILES:C1=C(C=O)CCC(Br)C(C)(C)Oc2cc(CCCCC)c(C(OCCCC)=O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 495.454
CB1 binding score: -15.42
InChIKey:QXQKPXMJEXJZHT-UHFFFAOYSA-N
ID: 94321
SMILES:CC1=CCC2c3c(cc(CCCCC)cc3O)OC(C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.769
InChIKey:ZAPJYSQBUVHAQR-UHFFFAOYSA-N
ID: 94322
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1(C)CCC1C2(C)CCC(O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -17.5
InChIKey:ZXJPFXZHBXRYLJ-UHFFFAOYSA-N
ID: 94323
SMILES:C(Cc1c(O)cc(CCCCC)cc1O)=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 94324
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 94325
SMILES:c1(O)c(C(O)=O)c(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -17.564
InChIKey:KXKOBIRSQLNUPS-UHFFFAOYSA-N
ID: 94326
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(CCC1(O)CC=CC(C)=C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.006
InChIKey:FFRDMXIOUAOANW-UHFFFAOYSA-N
ID: 94327
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 94328
SMILES:c1(CC=C(C)C)c(O)cc(CCCCC)c(C(O)=O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 94329
SMILES:OC(C1CCC2C(C)(C)Oc3c2c(O)cc(CCCCC)c31)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -14.503
InChIKey:VVLVROUUSQPWSZ-UHFFFAOYSA-N
ID: 94330
SMILES:C12C(CC=C(CCC(=O)C)C(C)(C)C1)c1c(O)cc(CCCCCO)cc1OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.287
InChIKey:BJLFQPPIRIJOSJ-UHFFFAOYSA-N
ID: 94331
SMILES:OC(=O)C(C)=CC(OC)c1cc(O)c(C(=O)OCCCC)c(C2C(C(=C)C)CCC(C)=C2)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: -14.514
InChIKey:OVIIRNBJECMKLR-UHFFFAOYSA-N
ID: 94332
SMILES:C1(C)=CCC2C(C1)c1c(cc(C)c(OC(=O)C)c1)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.09
InChIKey:VRLQFCGSEVLEBC-UHFFFAOYSA-N