ID: 60229
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)c(-c2c(O)cc(C)c3c2OC2C4C(C)(CCC2C(C)(CCCC(C)C)O3)O4)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 656.948
CB1 binding score: -13.768
InChIKey:VFIDUKXXLIUPID-UHFFFAOYSA-N
ID: 60230
SMILES:CC1(O)CCC2=C(c3ccc(CCCCC)cc3O)C(C2=C)CC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.442
InChIKey:HWOQDAJVEODTJI-UHFFFAOYSA-N
ID: 60231
SMILES:c1(CCCCC)c(O)cc(C)c2c1C1C(C(C)(O)CCC1C(C)(C)O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -12.001
InChIKey:JDJXFAFNUARRNY-UHFFFAOYSA-N
ID: 60232
SMILES:c12c(CCCCCC)cc(O)cc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.078
InChIKey:LUXGLLWMSIFKHW-UHFFFAOYSA-N
ID: 60233
SMILES:c1(CCCCCC)cc2c(c(OC)c1)C1C(CCC(C(OC)=O)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.206
InChIKey:QNGWOTNMHKZSRT-UHFFFAOYSA-N
ID: 60234
SMILES:c1(OS(=O)(O)=O)c2c(cc(C)c1)OC(C(C)(CCC=C(C)CCC=C(C)C)O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.559
CB1 binding score: -14.795
InChIKey:JNYYMJGPMJYBOW-UHFFFAOYSA-N
ID: 60235
SMILES:C(OC(C)=O)(C1(C)C2(CC2)c2c(cc(CCCCC)cc2O)OC1=O)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -17.269
InChIKey:JPSNWGIBVZCAAB-UHFFFAOYSA-N
ID: 60236
SMILES:c1(CCCCC)ccc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 60237
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C3CCC(C)=CC(O)C3(C)CC=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -16.015
InChIKey:RZQPLFHPYYMTOD-UHFFFAOYSA-N
ID: 60238
SMILES:C=C1CCC2C(Oc3cc(CCCCC)cc4c3OC(C)(C)C3CCC(C)(O4)CC23)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -14.807
InChIKey:DGKNUNNKKABTLV-UHFFFAOYSA-N
ID: 60239
SMILES:c1(O)c(CC=C(C)C)c(O)c(CC(OC(C)=O)C(C)C)c2c1C1C=C(C)CCC1C(=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -14.875
InChIKey:SYKCGUMFHSZGLE-UHFFFAOYSA-N
ID: 60240
SMILES:c12c3c(ccc1C)C(C)COC2(C)Oc1c3c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -17.31
InChIKey:SWVBNQPWZWSTLH-UHFFFAOYSA-N
ID: 60241
SMILES:C(=O)c1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -18.001
InChIKey:OTQLJHSGYCNBIP-UHFFFAOYSA-N
ID: 60242
SMILES:c1(C(C)=O)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.834
InChIKey:MKEBYMYEFFKCQH-UHFFFAOYSA-N
ID: 60243
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60244
SMILES:CC(CC)Cc1ccc2c(c1O)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.322
InChIKey:NRJFVCPHKBISPW-UHFFFAOYSA-N
ID: 60245
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.712
InChIKey:OVCQKJAEOKACAY-UHFFFAOYSA-N
ID: 60246
SMILES:C1=C(C)C(O)CC2C(C)(C)Oc3c(cc(CCCCC)cc3O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.747
InChIKey:GZXQAMTZYAIVIP-UHFFFAOYSA-N
ID: 60247
SMILES:C(C=C(CCC=C(C)C)COC(C)=O)c1c(O)c(C(c2ccccc2)CC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -16.132
InChIKey:AAAZCSKIPIDECD-UHFFFAOYSA-N
ID: 60248
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 60249
SMILES:C1(C)=CC2C(=CC1=O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.611
InChIKey:VMRYGTPYSSTTMY-UHFFFAOYSA-N