ID: 23227
SMILES:CC(=O)OC1(C#CC(CCC=C(C)C)C)CC(C)=CC(c2ccc(CCCCC)cc2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.664
CB1 binding score: -14.771
InChIKey:USBUOJUAQYPNEC-UHFFFAOYSA-N
ID: 23228
SMILES:C(=CCc1c(O)cc(CCC)cc1O)(CCC=C(C)C)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.648
InChIKey:KBXWJTOLHBSHJT-UHFFFAOYSA-N
ID: 23229
SMILES:CC1(C)C2C(C=C(C)CC2)c2c(cc(C(C)C)c(O)c2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.166
InChIKey:HSUHKTGRIHGTSV-UHFFFAOYSA-N
ID: 23230
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=CCCC3(C)C(CC1)OC3C=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -13.383
InChIKey:MOGBOVJIOBMJNX-UHFFFAOYSA-N
ID: 23231
SMILES:C1(=O)C(COC)Cc2c(cc(CCCCC)cc2O)C(=O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.714
InChIKey:LBURWDSCSFCRJA-UHFFFAOYSA-N
ID: 23232
SMILES:C(=O)(OC1C(C)=CC2c3c(cc(CCCCC)cc3OC(C)=O)OC(CCC=C(C)C)(C)C2C1)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -14.539
InChIKey:UQCOAVFNMVNTNW-UHFFFAOYSA-N
ID: 23233
SMILES:C1(CCC=C(C)C)(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: 23234
SMILES:OC(C(C)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.198
InChIKey:SMCPZRLVEKBNTA-UHFFFAOYSA-N
ID: 23235
SMILES:c1c(O)cc(CCCCC)c(C2CC(CO)=CC(=O)C3C(CCC=C(C)C)(C)OC23C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -16.986
InChIKey:DFEKHBFYIUXRFM-UHFFFAOYSA-N
ID: 23236
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 23237
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.26
InChIKey:HORSMAAJWXEDES-UHFFFAOYSA-N
ID: 23238
SMILES:CC1(C)Oc2c(cc(C(=O)C)c(C)c2)C2C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.668
InChIKey:QPSYBBUVKMXHBW-UHFFFAOYSA-N
ID: 23239
SMILES:C(C(C)C1(CC=C(C)C)c2c(cccc2CCCC)o1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -16.599
InChIKey:BXOWEWZYBIVXHW-UHFFFAOYSA-N
ID: 23240
SMILES:CC(CCC1C(C)CC(Oc2cc(CCCC)cc(O)c2O)C1C(=C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -15.631
InChIKey:UYSRHCJTNHIILK-UHFFFAOYSA-N
ID: 23241
SMILES:C(C)CCCc1cc2c(c(O)c1)OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.706
InChIKey:LCQRHLUIMXHDPP-UHFFFAOYSA-N
ID: 23242
SMILES:C(C(C)C)C(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.419
InChIKey:HYXJZSBKNKJZHQ-UHFFFAOYSA-N
ID: 23243
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(C)c3C(NC(C)=O)CC(C)C)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.548
CB1 binding score: -13.939
InChIKey:SQRWUWUJTFFGLV-UHFFFAOYSA-N
ID: 23244
SMILES:c1(CCCCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 23245
SMILES:O(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(=O)OC)CC1)Cc1cc(O)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.519
CB1 binding score: -13.297
InChIKey:OFISDYVUTWFMCD-UHFFFAOYSA-N
ID: 23246
SMILES:C1(Br)C2(C=CC(=O)CC2)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 407.348
CB1 binding score: -15.874
InChIKey:WDQWWJCIUKGGDM-UHFFFAOYSA-N
ID: 23247
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N