ID: 66025
SMILES:O1c2cc(CCCCC)c(C(=O)O)c(OC)c2C(OC(C)=O)C(C1C)C(C)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -15.694
InChIKey:INLKCJNTMHCXET-UHFFFAOYSA-N
ID: 66026
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.994
InChIKey:RSHHRAXMOZULOO-UHFFFAOYSA-N
ID: 66027
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C(C2)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.385
InChIKey:XGBLUBYIKPYOCW-UHFFFAOYSA-N
ID: 66028
SMILES:C(OC1CC2(C)CC(c3c(cc(CCCCC)cc3O)O1)C2)(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: Not available
InChIKey:VYXUIORACARJEU-UHFFFAOYSA-N
ID: 66029
SMILES:O(C)C1=CCC2(C)CC3C(CC2=CC1=O)c1c(cc(CCCCC)cc1O)OC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -14.415
InChIKey:REGIDPQPSLQVBL-UHFFFAOYSA-N
ID: 66030
SMILES:C(C)(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.466
InChIKey:MYHSOKDQJSQFRD-UHFFFAOYSA-N
ID: 66031
SMILES:O=C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.943
InChIKey:CMKPMOWKXOMQAZ-UHFFFAOYSA-N
ID: 66032
SMILES:c1cc(C)cc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.213
InChIKey:ABQUTLCPMMOSHA-UHFFFAOYSA-N
ID: 66033
SMILES:CC1(C)Oc2cc(CCCCC)cc3c2C2C(C)(C)C2CC1O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.036
InChIKey:CEDJOUDJHLVXTP-UHFFFAOYSA-N
ID: 66034
SMILES:c1(O)c(C=O)c2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.321
InChIKey:CMBFQSLUVVLKBC-UHFFFAOYSA-N
ID: 66035
SMILES:C(CCc1cc2c(c(OC)c1)C(=O)C1C(CC=C(C)C)(O2)C(O)=C1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -13.785
InChIKey:QJWIAOUBZYYKCI-UHFFFAOYSA-N
ID: 66036
SMILES:c1(O)cc(-c2cc(O)c(C(OC)=O)c(CCCCC)c2)cc2c1C=CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -14.145
InChIKey:PLKKOAKJYJONMO-UHFFFAOYSA-N
ID: 66037
SMILES:C1(Oc2c(CO)c3c(cc2O)c2c(cc3O)OC(C)(C)C3C2C=C(C)CC3)OC(COC(=O)CC(O)(CC(O)=O)C)C(O)C(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 662.685
CB1 binding score: -14.947
InChIKey:NMRMCQITMUSRRY-UHFFFAOYSA-N
ID: 66038
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 66039
SMILES:C12(CO1)C1c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.161
InChIKey:ZEFVSOQIEOAQDC-UHFFFAOYSA-N
ID: 66040
SMILES:c1(CCCCC)ccc2c(c1O)C1=C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.362
InChIKey:HBGAFPNNLBZETR-UHFFFAOYSA-N
ID: 66041
SMILES:C(=C(C)C)CCC1(C)Oc2cc(CCCCC)c(O)c(O)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.538
InChIKey:YJTJAZPLDZMHOB-UHFFFAOYSA-N
ID: 66042
SMILES:C1(C)=C2C3c4c(O)cc(CCCCC)cc4OC(c3ccc(O)c(O)c2)C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -15.411
InChIKey:QLJKVAWTZWJWSN-UHFFFAOYSA-N
ID: 66043
SMILES:CC(C)=C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.089
InChIKey:MXHIJQHAYHJSTF-UHFFFAOYSA-N
ID: 66044
SMILES:C(=CCC(C)c1c2c(c(O)c(-c3ccc(O)cc3)c1)OC(C)(C)C1C2C=C(C)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.604
CB1 binding score: -16.658
InChIKey:LAENKNTUTJNYQN-UHFFFAOYSA-N
ID: 66045
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.2
InChIKey:LDRMVIHDAUQSIW-UHFFFAOYSA-N