ID: 112666
SMILES:Oc1cc(OC)c2c(c1C(=O)C(C)CC)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.901
InChIKey:LIILJFGNLAVJEO-UHFFFAOYSA-N
ID: 112667
SMILES:CC(=CCCC(=CCc1cc2c(c(O)c1)CC1C(CO)(O2)OCC1C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.253
InChIKey:HRMJFDGXNCHCGY-UHFFFAOYSA-N
ID: 112668
SMILES:C1C(O)(CO)C2C3C(C(C)(C)Oc4cc(CCCCCC)cc(C(OC)=O)c42)CCC3(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -14.605
InChIKey:YKHCCISEYSLMHQ-UHFFFAOYSA-N
ID: 112669
SMILES:C1(CCC2(C)C3C(O)(C(=C)CCC3)C2)c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.111
InChIKey:DJSQWXOXHZJETC-UHFFFAOYSA-N
ID: 112670
SMILES:c1c(CCCCC)cc(O)c(C2C=C(C)CCC2C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 112671
SMILES:c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 112672
SMILES:CCC(C(=O)c1c2c(c3c(c1OC)CC(C(OC)=O)(C)O3)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.958
InChIKey:KJKFMCJUTQZGGO-UHFFFAOYSA-N
ID: 112673
SMILES:C1(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 112674
SMILES:C1(=O)OC2(OC)CC(C)C3(Oc4c(c(O)cc(CCCCC)c4)C3)C2C2C(C)CCC2=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -14.777
InChIKey:CNGXOEIQFTVXJS-UHFFFAOYSA-N
ID: 112675
SMILES:CC(C)=CCCC(C)=CCc1c(O)cc(CCCCC)c(C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.74
InChIKey:NDCNAGIHMAFCOX-UHFFFAOYSA-N
ID: 112676
SMILES:C12c3c(cc(CCCCC)cc3O)C(C(C)=C)C(C1C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -12.712
InChIKey:KOFVFPDEYYBLGN-UHFFFAOYSA-N
ID: 112677
SMILES:C1c2cc(CCCCC)cc(O)c2C2C(=C1C)CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -15.562
InChIKey:JOYZBTOAKWWERO-UHFFFAOYSA-N
ID: 112678
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 112679
SMILES:C1=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.727
InChIKey:YLTWYAXWDLZZCU-UHFFFAOYSA-N
ID: 112680
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C(O)CCC(=C)CC2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.109
InChIKey:CMFMKODMXVQEON-UHFFFAOYSA-N
ID: 112681
SMILES:Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -18.006
InChIKey:SUFPQJMELBBUPW-UHFFFAOYSA-N
ID: 112682
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112683
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCO)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.145
InChIKey:ASWNJXBFIASGOL-UHFFFAOYSA-N
ID: 112684
SMILES:C1(CCCCC)C=C(C)C(c2cc(CCCCC)ccc2C(=O)OCC=C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.03
InChIKey:NMSQZNDHPKCZFC-UHFFFAOYSA-N
ID: 112685
SMILES:C(Cc1c(O)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -13.642
InChIKey:SCTVVWWANMARGG-UHFFFAOYSA-N
ID: 112686
SMILES:c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N