ID: 94123
SMILES:OCC1=CC(CC=C(CCC=C(C)C)C)(C)Oc2c1cc(O)cc2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.209
InChIKey:DSOACMWQTLGDDC-UHFFFAOYSA-N
ID: 94124
SMILES:C1(C(C)C)C(c2cc(CCCCC)ccc2O)OC(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -17.362
InChIKey:PXLNBKLLZNJXHH-UHFFFAOYSA-N
ID: 94125
SMILES:C(C)CCC(=O)c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.641
InChIKey:CBMZWHDMPFAZKG-UHFFFAOYSA-N
ID: 94126
SMILES:c1c(O)c2c(c(C=O)c1)OC(C)(C)C1C(C=C(C)C(=O)C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.354
CB1 binding score: -14.239
InChIKey:YYURWJAJIJTZHO-UHFFFAOYSA-N
ID: 94127
SMILES:O(c1c2c(cc(CCCCC)c1)C=CC(CCC=C(C)C)(C)O2)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.636
InChIKey:OHNIUQGVQQSEKE-UHFFFAOYSA-N
ID: 94128
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 94129
SMILES:CC1(C)C2CC(O)C(C)=CC2c2cc(ccc2O)C(=O)OC(CCC=C(C)C)(C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -15.507
InChIKey:WMGQPPVFWCNCAT-UHFFFAOYSA-N
ID: 94130
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -18.138
InChIKey:CUNZWRHOBZASJY-UHFFFAOYSA-N
ID: 94131
SMILES:C(C=C(C)CC(=O)CC(C)C)c1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -16.764
InChIKey:SQLFLFWWCCWXHS-UHFFFAOYSA-N
ID: 94132
SMILES:CC(C)=CCc1c(O)c(C(=O)CC(C)C)c(OC)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.02
InChIKey:RPNSZHFAXPTVAJ-UHFFFAOYSA-N
ID: 94133
SMILES:C1C(=O)C(C)=CC2C1c1c(O)cc(CCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.236
InChIKey:FOJWZIXJUZMOTP-UHFFFAOYSA-N
ID: 94134
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C(O)=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 94135
SMILES:CC(=O)Oc1cc(CCCCC)ccc1C1(C)CCCC(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.764
InChIKey:QUAJLHRUKWCOSH-UHFFFAOYSA-N
ID: 94136
SMILES:CC1(C2CCC(C)=CC2c2c(O)cc(C)cc2O)CCC(C(C)(C)O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.583
InChIKey:YREFTIKSGYJSPS-UHFFFAOYSA-N
ID: 94137
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(O)=O)CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17
InChIKey:CGYHWLVCHKZQHO-UHFFFAOYSA-N
ID: 94138
SMILES:c1(O)cc2c3c(c(C)[nH]c2c1C=O)OC(C)(C)C1C3CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 325.408
CB1 binding score: -12.669
InChIKey:RVKHWAQKRRVKJC-UHFFFAOYSA-N
ID: 94139
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 94140
SMILES:c1(C2C=C(C)CCC2C(C)=C)ccc(O)c(CC=C(CCC=CC)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -16.233
InChIKey:NCWLMTWPKKXJQZ-UHFFFAOYSA-N
ID: 94141
SMILES:C(CCC1(C)Oc2cc(OC(=O)C)cc(C)c2CCC1C)C(=C)C#C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.929
InChIKey:IILKNZRIJWXHTI-UHFFFAOYSA-N
ID: 94142
SMILES:c1c2c(c(CCCCCCCC)cc1OC)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -16.146
InChIKey:YTOGKUPJOCBZEG-UHFFFAOYSA-N
ID: 94143
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N