ID: 48154
SMILES:OC(C#N)(c1cc2c(c(O)c1)C1CC(C)(O)C(O)CC1C(C)(C)O2)CCCl
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.883
CB1 binding score: -16.771
InChIKey:RYWVXMYEQXZKAE-UHFFFAOYSA-N
ID: 48155
SMILES:C1C2C(C(C)(C)Oc3cc(CCC)cc(O)c32)C2C(C)(C(O)CCC2(C)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.374
InChIKey:YTKLTHQQLAAJIM-UHFFFAOYSA-N
ID: 48156
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)cc(OCC)c3C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.752
InChIKey:XOAHTHGPQALFJE-UHFFFAOYSA-N
ID: 48157
SMILES:C(C=C(C)C)(O)CC(C)=CCCC(C)=CCc1c(O)c2c(cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -15.822
InChIKey:PMTZLTMLVTXYJF-UHFFFAOYSA-N
ID: 48158
SMILES:C1C(C(C)C)C2c3c(cc(CCC)cc3O)OC(CO)(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.744
InChIKey:ITZIIAZTEKDZMC-UHFFFAOYSA-N
ID: 48159
SMILES:C(=CCCC(=CCc1c(O)cc(CCC)c(C(=O)O)c1O)C)(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.559
CB1 binding score: -18.074
InChIKey:XJNWDFKQIJOXOC-UHFFFAOYSA-N
ID: 48160
SMILES:C1C(C)(CO)CC2C3(C)CC=C3C(C)(C4C=Cc3c(O)cc(CCCCC)cc3O4)C2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.115
InChIKey:HMVSKAJDQHGXHO-UHFFFAOYSA-N
ID: 48161
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)C)CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 312.497
CB1 binding score: -17.113
InChIKey:GELCPJMPGXQUCV-UHFFFAOYSA-N
ID: 48162
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(OC)cc(CCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.779
InChIKey:VXMYRUJLTHSFQU-UHFFFAOYSA-N
ID: 48163
SMILES:C(CCCC(O)=O)(=CC1CCCCC1)Oc1c(CCCCC)cc(O)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.284
InChIKey:ODCAHMBBRPTKQJ-UHFFFAOYSA-N
ID: 48164
SMILES:C1=C(C)C2C3C4OC5(CCCCCCCCC)OC2(C(C)C5)C3CC1C(C)=C4O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.982
InChIKey:ZDGLYXVUJAEHBF-UHFFFAOYSA-N
ID: 48165
SMILES:C(C(=O)OC(C)C1(O)C(O)C2C(C)(C(OC(=O)C(OC(C)=O)C(C)=CC)c3c(cc(CCCCC)cc3O)O2)C2OC(=O)C(=C)C12)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 684.779
CB1 binding score: -15.098
InChIKey:SLPAOXSCQWIZOZ-UHFFFAOYSA-N
ID: 48166
SMILES:C(C)COCc1c(CCCCC)cc2c(c1O)C1C(CC=C(CO)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -16.733
InChIKey:MPLLWRVVELLFTL-UHFFFAOYSA-N
ID: 48167
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.236
InChIKey:ISFJBVDYHLICJJ-UHFFFAOYSA-N
ID: 48168
SMILES:CC1=C2C(c3c(c(O)cc(CCCCC)c3)OC2(C)CCC=C(C)C)C(C(=C)C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -15.889
InChIKey:DWTREFIXAMQTPG-UHFFFAOYSA-N
ID: 48169
SMILES:CCCCCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.888
InChIKey:PQLHCGPBCSGLBO-UHFFFAOYSA-N
ID: 48170
SMILES:C(c1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C)CC1)(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.962
InChIKey:PUCWMLULOFRBGM-UHFFFAOYSA-N
ID: 48171
SMILES:CC(=CCc1c(O)c(C(=O)O)c(CCC)cc1O)CCC=C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -16.436
InChIKey:ZNLAAOJBLNAGMZ-UHFFFAOYSA-N
ID: 48172
SMILES:C(=C)(C)C1CCC(C)=CC1c1c(O)c(C=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.8
InChIKey:RAYRUJHFLUVASM-UHFFFAOYSA-N
ID: 48173
SMILES:CC1(C)Oc2c(c(O)cc(C)c2)C2C1CCC(C)=CCCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.103
InChIKey:CQGIDMUKNMQXCY-UHFFFAOYSA-N
ID: 48174
SMILES:CCCCCc1cc(O)cc2c1OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -19.548
InChIKey:WVLIZNYPYDUXCH-UHFFFAOYSA-N