ID: 50065
SMILES:CC1(O)CC2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1)CC=C(CO)C(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -17.169
InChIKey:PKXBHACFJGHBSZ-UHFFFAOYSA-N
ID: 50066
SMILES:Oc1c(C(C(C)C)CCC)cc(O)c(CC2(C)C3C(C)(C(C)=CCC3)CC=C2C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -14.912
InChIKey:RVOXNOFAZTWTHV-UHFFFAOYSA-N
ID: 50067
SMILES:C1(c2c(O)cc(CCC)cc2O)CC(C)(O)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.888
InChIKey:XRVSXBLYAUVVFC-UHFFFAOYSA-N
ID: 50068
SMILES:C1(C)(C)Oc2cc(CCCCC)cc3c2C2C1C(O)C(C)(O)CC2O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.59
InChIKey:OBUNUBDZMQSSGV-UHFFFAOYSA-N
ID: 50069
SMILES:C(Cc1cc(O)c(C2C(C(=C)C)CCC(CO)=C2)c(O)c1C=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.363
InChIKey:VAUVBVDZTWCPMP-UHFFFAOYSA-N
ID: 50070
SMILES:O=C(C=C(CO)CC)C(O)C1(CO)Oc2c(C(O)=O)c(CCCCC)cc(O)c2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.474
CB1 binding score: -15.588
InChIKey:ZLJZOAWTASOAGY-UHFFFAOYSA-N
ID: 50071
SMILES:C1(COC(=O)C)(C)C(CCC2(C)Oc3c(O)cc(C=O)cc3C(C)=C2)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.128
InChIKey:SQTLQZXHLHIRND-UHFFFAOYSA-N
ID: 50072
SMILES:c12c(c(O)c(C(=O)C(CC)C)c(OC)c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.798
InChIKey:KXSSXPRAUXWDRD-UHFFFAOYSA-N
ID: 50073
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 50074
SMILES:Oc1c(C=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)C(OC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.379
CB1 binding score: -14.234
InChIKey:NLOJOFBKULDTNX-UHFFFAOYSA-N
ID: 50075
SMILES:CCCCCc1cc(O)c(C2C(C(=C)C)CCC(CO)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -20.344
InChIKey:ZELUXPWDPVXUEI-UHFFFAOYSA-N
ID: 50076
SMILES:CC(C12C(O1)CC(=C)C=C1c3c(cc(CCCCC)cc3O)OC(C)(CC1)CC2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.928
InChIKey:RIOZEZJDMHGHEJ-UHFFFAOYSA-N
ID: 50077
SMILES:c1c2c(c(=O)ccc1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -14.743
InChIKey:BKLOGLMEXZKDAK-UHFFFAOYSA-N
ID: 50078
SMILES:C(CCC(=CCCC1(C)CCc2c(C)cc(O)c(O)c2O1)C)C(C)(C)OC(c1ccccc1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -17.461
InChIKey:LMWMMYOSCJVHOZ-UHFFFAOYSA-N
ID: 50079
SMILES:C(=O)(OCC1(c2c(O)cc(CCC)cc2O)CC(C)(C)CCC1)CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -12.036
InChIKey:SZCKVRFASFVITF-UHFFFAOYSA-N
ID: 50080
SMILES:CC(C)(CCCC1(C)Oc2c(c(O)cc(C)c2)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -15.439
InChIKey:LDBLEFXFRWYKMI-UHFFFAOYSA-N
ID: 50081
SMILES:C(=C)(C)C1CC(C(C)=C)C(c2c(O)cc(CCCC)cc2O)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.438
InChIKey:RMPKICLHFRGRKY-UHFFFAOYSA-N
ID: 50082
SMILES:c12cc(CCCCC)cc(O)c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 50083
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 50084
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C(C)C)C(O)C(O)C1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.224
InChIKey:OYUVXHZZKRSCTO-UHFFFAOYSA-N
ID: 50085
SMILES:c12c(ccc(C=O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -18.001
InChIKey:OTQLJHSGYCNBIP-UHFFFAOYSA-N