ID: 80053
SMILES:c12cc(C)c(C)cc1c1c(cc2)-c2c(cc(CCCCC)cc2O)OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.524
CB1 binding score: -15.231
InChIKey:HGJPIMMYYGJOAJ-UHFFFAOYSA-N
ID: 80054
SMILES:C1C(C)C2CCC(=C)C=C2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.315
InChIKey:WIHXGPZNACCNBO-UHFFFAOYSA-N
ID: 80055
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 80056
SMILES:C(CC=C(C)C)C(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 80057
SMILES:CCCCc1cc2c(c(O)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.123
InChIKey:FBOZPCMZJASDFR-UHFFFAOYSA-N
ID: 80058
SMILES:c1(CCCCC)cc2c(c(O)c1C=O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.059
InChIKey:IVRCBDVTRVUPTL-UHFFFAOYSA-N
ID: 80059
SMILES:C=C(C1C(c2c(O)cc(CCCCC)c(O)c2O)CC(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.883
InChIKey:LMIZEWVWQLDQAN-UHFFFAOYSA-N
ID: 80060
SMILES:C=C(C1CCC(COC(C)=O)=CC1c1cc(C(=O)OC)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -13.453
InChIKey:GIMWHLZSBJRQTJ-UHFFFAOYSA-N
ID: 80061
SMILES:CC1=CC2C(OC3OC(CO)C(O)C(O)C3O)(CC1)C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.501
CB1 binding score: -16.152
InChIKey:LFUSXOTWVWNZTM-UHFFFAOYSA-N
ID: 80062
SMILES:CC(=CCc1c(O)cc(CCCCCCO)cc1OCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.669
InChIKey:HSJGJEFGSOSJGF-UHFFFAOYSA-N
ID: 80063
SMILES:C1C=C(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.988
InChIKey:IRZUENZCSSFGGG-UHFFFAOYSA-N
ID: 80064
SMILES:O=C(C1CC2c3c(cc(CCCCC)cc3O1)OC21CC(=O)C(C)=C1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -16.421
InChIKey:CBUKXLZMKRSCCV-UHFFFAOYSA-N
ID: 80065
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(=O)CC(O)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.062
InChIKey:AWSPPIVRPMPHFB-UHFFFAOYSA-N
ID: 80066
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.096
InChIKey:OPOIPENSMKDQLW-UHFFFAOYSA-N
ID: 80067
SMILES:Oc1cc(CCC)cc2c1C1CC(C)(CCC1C(C)(C)O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.624
InChIKey:RRQVSLLVCGRJNI-UHFFFAOYSA-N
ID: 80068
SMILES:CCCCC(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.62
InChIKey:DIQYVNHEJRYSFK-UHFFFAOYSA-N
ID: 80069
SMILES:C1(C)C(C)(CCC(=CCc2cc(O)ccc2O)C)OC(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -13.966
InChIKey:GZECILXUVSZKTG-UHFFFAOYSA-N
ID: 80070
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)cc(C(=O)O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.615
InChIKey:TXJOZSKHWCYWTN-UHFFFAOYSA-N
ID: 80071
SMILES:C1(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC1(OCC)OC3(C(C)C)CC(=O)C(C)=C3CC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.769
CB1 binding score: -15.317
InChIKey:WTFIJYOBYLILDI-UHFFFAOYSA-N
ID: 80072
SMILES:C(C)(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C(O)C1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.066
InChIKey:FENJDXDQBRGQED-UHFFFAOYSA-N
ID: 80073
SMILES:c1(O)cc(CCCCC)cc2c1C1C(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