ID: 113044
SMILES:C(C)(=CCc1c(O)cc(CCCCC)cc1OC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -19.169
InChIKey:FCNLMUQPSJEBQE-UHFFFAOYSA-N
ID: 113045
SMILES:O1c2c(c(O)cc(CCCCC)c2)CC1(O)CCC=C(C)CC1C=C(C)C(=O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -14.165
InChIKey:UALNSTAGBFNMCR-UHFFFAOYSA-N
ID: 113046
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 113047
SMILES:c1c(C)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 113048
SMILES:CC(Cc1cc(O)c2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -14.376
InChIKey:LWEJBYAPEUSHOE-UHFFFAOYSA-N
ID: 113049
SMILES:C(=O)(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.476
InChIKey:HXFAXZSUGKYTOF-UHFFFAOYSA-N
ID: 113050
SMILES:CC1(OC)C2C(CC(C(=O)OC3OC(CO)C(O)C(O)C3O)=CC2)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.591
CB1 binding score: -14.329
InChIKey:PHTXKTKQERLNIB-UHFFFAOYSA-N
ID: 113051
SMILES:C(C=C(C(O)=CC(CC)C)C)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.522
InChIKey:QOBKHYKEJZVIDH-UHFFFAOYSA-N
ID: 113052
SMILES:C1=C(C)CCC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.096
InChIKey:OPOIPENSMKDQLW-UHFFFAOYSA-N
ID: 113053
SMILES:C(CCCCCc1cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.745
InChIKey:MHBGCQMSUOCZFN-UHFFFAOYSA-N
ID: 113054
SMILES:CC(C)=CCCC1(C)C2(CC=C(CCC=C(C)C)CC2)Oc2c(cc(O)cc2C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -17.081
InChIKey:DCEQRWSETUJWRA-UHFFFAOYSA-N
ID: 113055
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(OC)c2C2C1CCC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.978
InChIKey:KBHYWFRGGLCWNO-UHFFFAOYSA-N
ID: 113056
SMILES:O1c2cc(O)c(c(O)c2)CC(CC=C(C)C)C(C)=CCCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.994
InChIKey:OGFCPZXGJMKXDA-UHFFFAOYSA-N
ID: 113057
SMILES:Oc1c(C(CC(C)C)=O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.385
InChIKey:KCKFCLWTUCSIQS-UHFFFAOYSA-N
ID: 113058
SMILES:C1C2(O)C(CCC2=C)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.722
InChIKey:LTBQIDLLIQEKJQ-UHFFFAOYSA-N
ID: 113059
SMILES:C(CCCc1cc2c(c(OC)c1)C1CC(C)(CO2)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.507
InChIKey:OUVYVMYUJGZRIG-UHFFFAOYSA-N
ID: 113060
SMILES:CC(C1CCC(C)=CC1c1c(O)c(CCCCC)cc(O)c1)C(CC(C)=C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.914
InChIKey:GJYPYUBKHYJHDC-UHFFFAOYSA-N
ID: 113061
SMILES:c1c(C)c2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -17.807
InChIKey:UXMIHAFYFTVPQZ-UHFFFAOYSA-N
ID: 113062
SMILES:C1(=O)OC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.554
InChIKey:BEZQQIDPWNSBJN-UHFFFAOYSA-N
ID: 113063
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -19.572
InChIKey:KKASRYPDNSSAPZ-UHFFFAOYSA-N
ID: 113064
SMILES:C(C1CC2C(C)=CC1c1c-2cc(O)cc1O)C=C(CCC=C(CCC=C(C)C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.61
CB1 binding score: -13.522
InChIKey:PZVCLBGGGVMBBV-UHFFFAOYSA-N