ID: 135031
SMILES:c1(CCCCC)cc2c(c(O)c1C)C1C3C(C)(CCC3C(C)C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.54
InChIKey:ZKDNJUQICKUOEH-UHFFFAOYSA-N
ID: 135032
SMILES:c1(OC)c(CC=C(C)C)c2c(cc1CCCCC)OC(C)(C)C(CC=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 398.631
CB1 binding score: -15.367
InChIKey:VLXQUTSWRXATCJ-UHFFFAOYSA-N
ID: 135033
SMILES:C(CCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.463
InChIKey:OUFSRWKMPITMJI-UHFFFAOYSA-N
ID: 135034
SMILES:C1CC(=C(C)C)C(c2c(O)c(OC)cc(CCCCC)c2)CC1C(OC)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.012
InChIKey:UTZRVFXAFCVDKP-UHFFFAOYSA-N
ID: 135035
SMILES:c1c(O)ccc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 135036
SMILES:c1(C(C)CCC=C(C)C)c(O)cc(COc2cc(CCCCC)cc(O)c2C2C=C(C)C(=O)CC2C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 546.792
CB1 binding score: -12.359
InChIKey:REAXLIZCOHWWLQ-UHFFFAOYSA-N
ID: 135037
SMILES:C1C2C(CC(C)C1=O)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.254
InChIKey:QBGGFIYNIRIVHQ-UHFFFAOYSA-N
ID: 135038
SMILES:c1c2c(cc(CCCCCC)c1)OC(C)(C)C1CCC(C=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.916
InChIKey:OUYMIJVTCXEMPE-UHFFFAOYSA-N
ID: 135039
SMILES:C1(O)C2C(C)(CCC1C(O)(C)C)Oc1c2cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -15.711
InChIKey:SCZNEZHRVXYKFH-UHFFFAOYSA-N
ID: 135040
SMILES:C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 135041
SMILES:Oc1c(CC=C(C)CCC=C(CO)C)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -18.197
InChIKey:ZTNJWVHQBLNABH-UHFFFAOYSA-N
ID: 135042
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)c(C(=O)O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 135043
SMILES:Oc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.727
InChIKey:AEVKSKKCAWHBFL-UHFFFAOYSA-N
ID: 135044
SMILES:C(C)C(=O)C=CC1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC1(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -13.521
InChIKey:UGYFLHBHXNVSSI-UHFFFAOYSA-N
ID: 135045
SMILES:c1(CC=C(CO)CCC=C(C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.652
InChIKey:YGSDIXSCKNPHAP-UHFFFAOYSA-N
ID: 135046
SMILES:C(c1cc(O)c2c(c1)OC1(C)C2C2C(=C(C)C(=O)O2)CC1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.77
InChIKey:PGGLSUISNIWZSY-UHFFFAOYSA-N
ID: 135047
SMILES:Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 135048
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.334
InChIKey:KDXXQFACISICHZ-UHFFFAOYSA-N
ID: 135049
SMILES:C(OC)(c1c(O)c2c(cc1C)OC(C)(CCC=C(C)C)C=C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.553
InChIKey:ARVKJUYJOCUSEI-UHFFFAOYSA-N
ID: 135050
SMILES:c1(O)c(C(=O)O)c(CCCCC)cc2c1C1C(O)C(C)(C)OC1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.765
InChIKey:SAMGFEVTBLDKNK-UHFFFAOYSA-N
ID: 135051
SMILES:C1CC(C)=CC2C1C(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