ID: 113107
SMILES:O1c2cc(C)c(O)cc2C2C(CCC(C)=C2)C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 113108
SMILES:COc1c(CC=C(CCC=C(C)C)C)c(O)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -16.381
InChIKey:OVWDURKGVUYKBI-UHFFFAOYSA-N
ID: 113109
SMILES:O=C1c2c(c(O)cc(CCCCC)c2)C(=O)C2(CC3C(C(C)=C)(CCC(C)=C3)C2C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -13.407
InChIKey:SLPRCJDZFUNBRB-UHFFFAOYSA-N
ID: 113110
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)c(C(=O)OC2(C(C)C)CCC(C)=CC2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: -14.743
InChIKey:HNTWYRZNLFZJLU-UHFFFAOYSA-N
ID: 113111
SMILES:C1C2C(C3CC3C1)C(C=C(C)C)c1c(cc(CCCCC)cc1OC)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.441
InChIKey:QLIFOTZOLVMNHN-UHFFFAOYSA-N
ID: 113112
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(O)C(O)(C)C1CC(C)(C)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.555
InChIKey:BVVUPGWBOFCCMU-UHFFFAOYSA-N
ID: 113113
SMILES:C12C(CC(C)=CC1)c1c(ccc(C(O)=O)c1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.038
InChIKey:UUOAKXZPWRBWNL-UHFFFAOYSA-N
ID: 113114
SMILES:C1CC=C2C(=O)c3c(O)cc(CCCCC)cc3OC2(C)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.824
InChIKey:JHSYKBOQPJHCEA-UHFFFAOYSA-N
ID: 113115
SMILES:C(CCCc1cc(O)c2c(c1)OC(CO)(CCC=C(C)C)C(=O)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.149
InChIKey:YUQLXWRVOQQYCQ-UHFFFAOYSA-N
ID: 113116
SMILES:C1=CC2(CC(=O)c3c(O)cc(CCCCC)cc3O2)CC(C(=O)CO)=C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.417
CB1 binding score: -11.735
InChIKey:GBQZZSBPAZHXKB-UHFFFAOYSA-N
ID: 113117
SMILES:Oc1c(Cc2c(O)c3c(cc2C)OC(C)(C)C=C3)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -16.747
InChIKey:UZXJNPXQSJVZCA-UHFFFAOYSA-N
ID: 113118
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)cc2c(c1)OC(C)(C)C1C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.615
InChIKey:DQPAYIYEZPRONU-UHFFFAOYSA-N
ID: 113119
SMILES:C1(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.052
InChIKey:FYKJMOKWBFTTAU-UHFFFAOYSA-N
ID: 113120
SMILES:C(c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.786
InChIKey:YURJBXYTSFIOOT-UHFFFAOYSA-N
ID: 113121
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(OC)c3C1C=C(C(O)O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.058
InChIKey:FMDJEMYZPUUYJD-UHFFFAOYSA-N
ID: 113122
SMILES:c1(C)ccc2c(c1C(CO)CCOC(=O)CBr)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 519.476
CB1 binding score: -13.682
InChIKey:DNJIVZFXKLACKW-UHFFFAOYSA-N
ID: 113123
SMILES:O1C(c2cc(C3(C)OC(C)(C)CCC3)c(O)cc2O)C(C(C)C=O)=C(O)C1(C)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -16.824
InChIKey:FZCUFOPYEWXSKC-UHFFFAOYSA-N
ID: 113124
SMILES:Cc1cc(OCCN(CC(O)C)C(C)C)c(O)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 401.591
CB1 binding score: -15.325
InChIKey:RGVNYSPJJOQZEU-UHFFFAOYSA-N
ID: 113125
SMILES:C1(C(C)(O)C)OC(CCCC)=CC1c1c(O)cc(C)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -14.627
InChIKey:MXUGOOUJMJPBEG-UHFFFAOYSA-N
ID: 113126
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 113127
SMILES:C(CCC(C)=CCc1c(O)cc(CCCCC)cc1O)=C(C(=O)OC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.502
InChIKey:LMHMHHWCJXTZFY-UHFFFAOYSA-N