ID: 112036
SMILES:C12(C)CCC(C(C)(C)O)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.334
InChIKey:LTJOTHGPJVLRQN-UHFFFAOYSA-N
ID: 112037
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112038
SMILES:c1(CC(=O)O)cc(O)c2c(c1)OC(C)(C)C1C2(C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.007
InChIKey:BFDHNKVTERVTCS-UHFFFAOYSA-N
ID: 112039
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 112040
SMILES:COc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 112041
SMILES:C(CCCCC)c1cc(O)c2c(c1C(=O)C1CC(C)CCC1C(C)(C)O)C=C(C)C(C)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.722
CB1 binding score: -16.085
InChIKey:IUASUOMOUFRYSO-UHFFFAOYSA-N
ID: 112042
SMILES:CC(=CCC1c2c(O)cc(CCCCC)cc2OC1(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.191
InChIKey:MGLWJJVAJQPDLK-UHFFFAOYSA-N
ID: 112043
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C12)CC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.444
InChIKey:CQHKPJZGPAFCLN-UHFFFAOYSA-N
ID: 112044
SMILES:C(C1CC2(C3(C)C(O)(C(C)(C)CCC3)CCC2C)Oc2c1c(O)cc(C(C)(C)C)c2)OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -16.339
InChIKey:WWFSQQNVVOSWBA-UHFFFAOYSA-N
ID: 112045
SMILES:c1(C2C(C(=C)C)CCC(C)=C2)cc(CC[N+](=O)O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.394
CB1 binding score: -16.131
InChIKey:LIIZTOVNFXHCOQ-UHFFFAOYSA-O
ID: 112046
SMILES:CC1(CO)C2CC=C(C)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.979
InChIKey:BGFAVKWESQHCHC-UHFFFAOYSA-N
ID: 112047
SMILES:O=C1C2(CC=C(C)C)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 414.586
CB1 binding score: -14.298
InChIKey:UGOZKQVHVBCKFL-UHFFFAOYSA-N
ID: 112048
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 112049
SMILES:C1(C)=CC(c2c(O)c(-c3c(OC=O)c(O)cc(CCCCC)c3)cc(CC=C(C)C)c2)C(C(CCC=C(C)C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 572.83
CB1 binding score: -14.899
InChIKey:KZPLEOWTLGMJII-UHFFFAOYSA-N
ID: 112050
SMILES:Oc1c(CC=C(CCC=C(C)C(=O)O)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.723
InChIKey:WJFILTHPTPTQEA-UHFFFAOYSA-N
ID: 112051
SMILES:C1(O)C(C)=CC2=C(C(C)(C)Oc3cc(CCCCC)cc(OC)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.347
InChIKey:LADCAKDPLOYEIO-UHFFFAOYSA-N
ID: 112052
SMILES:c12c(C)cccc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -20.51
InChIKey:NAFGOVPOWUOTBL-UHFFFAOYSA-N
ID: 112053
SMILES:c1c(O)c(O)c2c(c1C(C(C)C)=O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.633
InChIKey:KDRWVHPWZWAYJW-UHFFFAOYSA-N
ID: 112054
SMILES:CC(=O)Oc1cc(CCCCC)cc(O)c1C1=C(C)CCC2C(C)(C)CCCC12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.852
InChIKey:MFWFJKUXTMIRLS-UHFFFAOYSA-N
ID: 112055
SMILES:C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.763
InChIKey:HVWVOGVMSIUGDF-UHFFFAOYSA-N
ID: 112056
SMILES:c1(CC(C)C)cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -17.779
InChIKey:XMAJYBRAPRJTFY-UHFFFAOYSA-N