ID: 49099
SMILES:C1=CC2(C)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.921
InChIKey:ADMINCYHUACCPF-UHFFFAOYSA-N
ID: 49100
SMILES:CC1=CCCC(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.813
InChIKey:LISQMXYEJUYUCR-UHFFFAOYSA-N
ID: 49101
SMILES:C1(C)(C)OC(CC(=CCc2c(O)c(C)cc(OC)c2)C)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.825
InChIKey:HTXONVPLSWEBJC-UHFFFAOYSA-N
ID: 49102
SMILES:C(C)(=C)C1OCCc2c(O)cc(CCCCC)cc21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -14.356
InChIKey:SJPGTKMUNHELOP-UHFFFAOYSA-N
ID: 49103
SMILES:C1(=O)CC(C)(C)Oc2cc(CCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Merohemiterpenoids
MW: 234.295
CB1 binding score: -18.753
InChIKey:CJTQUGOPLSKVPR-UHFFFAOYSA-N
ID: 49104
SMILES:C1Cc2cc(OC3C(O)C(O)C(O)C(CO)O3)cc(C)c2OC12C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 544.641
CB1 binding score: -15.554
InChIKey:DJFKHTMWZJLGFY-UHFFFAOYSA-N
ID: 49105
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(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: 49106
SMILES:c1c(OCC=C(CC(O)C=C(C)C)C)cc(O)cc1CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.048
InChIKey:YAUOBCXKOCSPJP-UHFFFAOYSA-N
ID: 49107
SMILES:C(OC(=O)C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.192
InChIKey:POOJIPDLCNIGNC-UHFFFAOYSA-N
ID: 49108
SMILES:c1(C(C)C)cc2c(c(OC)c1)C=CC(C)(CCC=C(CCC=C(C)C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.92
InChIKey:SJBPKFQYKGUKED-UHFFFAOYSA-N
ID: 49109
SMILES:O=C1C=C2C(C)(C)Oc3c(c(O)cc(CCCC)c3O)C2CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.98
InChIKey:LOHUSYVNIPILRZ-UHFFFAOYSA-N
ID: 49110
SMILES:CC1(C)C2CC=C(CO)CC2c2c(cc(C(=O)C(C)C)c(O)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.584
InChIKey:XDCCCEIJZWNUMB-UHFFFAOYSA-N
ID: 49111
SMILES:C1C2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.624
InChIKey:SFKCWCDDXYSANA-UHFFFAOYSA-N
ID: 49112
SMILES:C1CC(C)=CC=C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2(C)CCC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.653
CB1 binding score: -15.609
InChIKey:TUCZZFJYDBCRRW-UHFFFAOYSA-N
ID: 49113
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(CO)C(=O)CC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.174
InChIKey:CJRHYYRYCGLADH-UHFFFAOYSA-N
ID: 49114
SMILES:C12(C)Oc3cc(C)cc(O)c3C(C=C)(C)C1CC(CO)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.62
InChIKey:KEZYYLALBDJEFN-UHFFFAOYSA-N
ID: 49115
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 49116
SMILES:C(CCC)Cc1cc2c(c(O)c1C1C=C(C)CCC1C(=C)C)C=C(C)C(=O)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.539
CB1 binding score: -15.527
InChIKey:PSYVNHAEOIUNNS-UHFFFAOYSA-N
ID: 49117
SMILES:c1c(C(C(C)CC)C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -15.88
InChIKey:JCQWQIPVNPSMNB-UHFFFAOYSA-N
ID: 49118
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 49119
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(CCC=C(CCC=C(C)C)C)(C)CC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.568
InChIKey:BZKPQULDLADYRW-UHFFFAOYSA-N