ID: 95110
SMILES:CC(=C1CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1OC(=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.115
InChIKey:HEZBSXFMIYCBQR-UHFFFAOYSA-N
ID: 95111
SMILES:c1c(CCCC)cc2c(c1O)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.669
InChIKey:SPVJWXODUGAQRN-UHFFFAOYSA-N
ID: 95112
SMILES:BrCc1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -14.605
InChIKey:FUHKTWSFPOIVSZ-UHFFFAOYSA-N
ID: 95113
SMILES:c12c(c3c(cc4c(c3C)CCCC4(C)C)c3c(cccc3)o1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.627
CB1 binding score: -16.608
InChIKey:NQVLSXOTLIEEAN-UHFFFAOYSA-N
ID: 95114
SMILES:c1(C(=N)O)cc2c(cc1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 287.359
CB1 binding score: -17.152
InChIKey:KVFMNJONCCXFOD-UHFFFAOYSA-N
ID: 95115
SMILES:C1(O)CCC(O)(C)C2C3(C)CCC(O)C(C)(C)C12Oc1c3c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -14.728
InChIKey:XGQCFAXSXJJIED-UHFFFAOYSA-N
ID: 95116
SMILES:C12C(=O)C(C)(C)C(O)CC1C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.961
InChIKey:UZQNFENUTYGQLM-UHFFFAOYSA-N
ID: 95117
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 95118
SMILES:C1c2c(cc(C)c(OC)c2)OC(C)(C)C1CCC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.274
InChIKey:DRKAPAQTQZZTRI-UHFFFAOYSA-N
ID: 95119
SMILES:c1(O)ccc2c(c1Cl)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.778
CB1 binding score: -13.772
InChIKey:ZBTOONFQTSUAJQ-UHFFFAOYSA-N
ID: 95120
SMILES:CC(CC)c1c(O)cc(N)c2c1OC(C)(C1C2C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.457
CB1 binding score: -15.11
InChIKey:IZKSFTWNJCOPJU-UHFFFAOYSA-N
ID: 95121
SMILES:CC(CCC=C(C)C)=CC1OC2(c3c(cc(CCCCC)cc3O)O1)OC(C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.767
InChIKey:NZJPFEMEAMYZDP-UHFFFAOYSA-N
ID: 95122
SMILES:CC1C(O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.143
InChIKey:CIVSDEYXXUHBPV-UHFFFAOYSA-N
ID: 95123
SMILES:C(CCCc1cc2c(cc1O)C1C(C(C)(C)O2)CCC(C(=O)O)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.935
InChIKey:OOZIXFVRGKQSDX-UHFFFAOYSA-N
ID: 95124
SMILES:C(CCCC)c1cc(O)c2c3c(c(O)c12)OC(C)(C)C1C3C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.409
InChIKey:QXUULSXPGSYMQB-UHFFFAOYSA-N
ID: 95125
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.15
InChIKey:FXRYFSBEEDYORZ-UHFFFAOYSA-N
ID: 95126
SMILES:CC1C2(CCC(C)=C2)C(C)(C)Oc2c1c(C(CCCCC)=O)c(O)c(CC=C(C)C)c2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -12.693
InChIKey:VINRUSPZDUZJQS-UHFFFAOYSA-N
ID: 95127
SMILES:C(C=C(C)C)CC(=CCC(O)C1(C)Oc2c(c(O)cc(CCCCC)c2)C(=O)C1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -13.627
InChIKey:PZLFSHBLPWJNLZ-UHFFFAOYSA-N
ID: 95128
SMILES:C1=C(C)CCC=C(C)COc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.214
InChIKey:QBDKWKLNQIIWAW-UHFFFAOYSA-N
ID: 95129
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 95130
SMILES:c1c(C(=O)O)cc2c(c1O)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.418
CB1 binding score: -18.343
InChIKey:ZAMUGSQPIIYKKF-UHFFFAOYSA-N