ID: 82720
SMILES:C12CC(C)(O)C(O)CC1C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -16.984
InChIKey:HUXAURRMVUACNV-UHFFFAOYSA-N
ID: 82721
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C3(C(O)(C(C)(C)CCC1)C(O)OC3=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -12.919
InChIKey:ZZIXCYYOQGKTMK-UHFFFAOYSA-N
ID: 82722
SMILES:NC1C(C)(CCC=C(C)C)Oc2cc(CCCCC)c(C(OCC)=O)c(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 403.563
CB1 binding score: -14.318
InChIKey:SNYLBPNMYLYCDY-UHFFFAOYSA-N
ID: 82723
SMILES:C12C(C(O)C=C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.583
InChIKey:ZNXSHPHPQGXGMW-UHFFFAOYSA-N
ID: 82724
SMILES:CC12CCC(C(C)C)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.251
InChIKey:GIVNWDNDDALTHM-UHFFFAOYSA-N
ID: 82725
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 82726
SMILES:c1(-c2c3c(ccc2OC)C(C)=CC(O)C3)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.56
CB1 binding score: -15.369
InChIKey:MOVRFTURZAYBHI-UHFFFAOYSA-N
ID: 82727
SMILES:CC1(C)C2CCC(C)=CC2c2c(cccc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 82728
SMILES:CCCc1cc(O)c2c(c1O)C1C(C(C)(C)O2)CCC(COC(CCCCCCCCCCC)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.736
CB1 binding score: -15.369
InChIKey:WCZBZWXQOYNQJV-UHFFFAOYSA-N
ID: 82729
SMILES:O=C1CC(C)C2(C(C)(C)C1)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.332
InChIKey:MKCRTWSIJLLROH-UHFFFAOYSA-N
ID: 82730
SMILES:C1(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 82731
SMILES:C1(C)(O)C2C3OC3(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.945
InChIKey:SOSGKHFJOZHRMQ-UHFFFAOYSA-N
ID: 82732
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2)C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.425
InChIKey:CUBYMHKAHNSHAM-UHFFFAOYSA-N
ID: 82733
SMILES:CC(CC)CC(c1c(O)c2c(c(O)c1)C(C)(C)C(CC=C(C)C)O2)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.605
InChIKey:JPOUKHPEIUYYBC-UHFFFAOYSA-N
ID: 82734
SMILES:C(CC)Cc1cc2c(c(O)c1)C1CC(C)(CCC1C(C)(O)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.903
InChIKey:DQIJFJFAQLIKDN-UHFFFAOYSA-N
ID: 82735
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.957
InChIKey:JJBMVXFZSLTKCL-UHFFFAOYSA-N
ID: 82736
SMILES:c1(OC)c(OC)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -19.512
InChIKey:XSVIAZSLVNZZSQ-UHFFFAOYSA-N
ID: 82737
SMILES:C1C(C)OC2CC(C)(C)CC3C12Oc1c(c(O)c(C(=O)O)c(CCCCC)c1)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.538
InChIKey:RVGJTQWIHHHGQU-UHFFFAOYSA-N
ID: 82738
SMILES:C(=CC(C)=C)CC(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.412
InChIKey:BTOBCSBNWDHYQM-UHFFFAOYSA-N
ID: 82739
SMILES:c1c(C)ccc(C)c1C1(c2c(C=O)c(O)cc(CCCCC)c2)OC(C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -11.364
InChIKey:UPHUVNAMEOMHBS-UHFFFAOYSA-N
ID: 82740
SMILES:C1=C(C)CC(C(CC=C(CCC=C(C)C)C)CC2Oc3c(c(O)cc(CCCCC)c3)C2=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.588
InChIKey:XDCJTIPQKKDINY-UHFFFAOYSA-N