ID: 112372
SMILES:O=C(O)CC12Cc3c(O)cc(C)cc3OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -12.694
InChIKey:NWQSXFFYONFXRO-UHFFFAOYSA-N
ID: 112373
SMILES:C=C(CCC(=C)C(C)C)C1C(CC(C)C)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.929
InChIKey:DXCJQENVUJYRIN-UHFFFAOYSA-N
ID: 112374
SMILES:C1=C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.712
InChIKey:SBLQFIJJHXJVBQ-UHFFFAOYSA-N
ID: 112375
SMILES:O1c2cc(CCCCC)cc(O)c2C(=O)C2CCC=C(C)C12C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.863
InChIKey:ZLXHQFCKVOWVQC-UHFFFAOYSA-N
ID: 112376
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1C1C3C(O1)(CCC3C)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.534
InChIKey:COSYZXUFESFQFD-UHFFFAOYSA-N
ID: 112377
SMILES:O(c1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(CC=C(C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.254
InChIKey:ZUBUXVIFGWYECP-UHFFFAOYSA-N
ID: 112378
SMILES:C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.85
InChIKey:MXFXVSYOFRIHAI-UHFFFAOYSA-N
ID: 112379
SMILES:c1(CC)c2c(cc(O)c1)C1=C(C(C)(C)O1)CCC(C)(OC)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -10.885
InChIKey:MBLXKERSRZKCGP-UHFFFAOYSA-N
ID: 112380
SMILES:c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 112381
SMILES:C1(C)=CC2c3c(ccc(C(O)=O)c3)OC(C)(C)C2CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.653
InChIKey:CZHSPWWRHNBWEO-UHFFFAOYSA-N
ID: 112382
SMILES:C1(CC(=C)C)c2c(O)cc(CCCCC)cc2OC(C)(CCC2OC(C)(C)C(=O)C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -14.532
InChIKey:ZKNYDSQFRHKAHZ-UHFFFAOYSA-N
ID: 112383
SMILES:C1(C(O)(C)C)CCC(C)=CC1c1c(O)cc(CCC)cc1OC1OC(CO)C(O)C(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.571
CB1 binding score: -17.527
InChIKey:AEDWEIJDCVXCKC-UHFFFAOYSA-N
ID: 112384
SMILES:c1(O)c(C(C)C)c(O)c(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.941
InChIKey:GYLKRLTXMGPJGH-UHFFFAOYSA-N
ID: 112385
SMILES:C(=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 112386
SMILES:CC(C)=CCc1c(O)cc(C)c(C2C(C(C)=C)CCC(C)=C2)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.67
InChIKey:RQBYUGZJKLGSHJ-UHFFFAOYSA-N
ID: 112387
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(cc(CCCCC)cc3O)CC1C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -10.614
InChIKey:XAMZJPXJQFERRY-UHFFFAOYSA-N
ID: 112388
SMILES:c1c2ccc(OCC)c(OC)c2c(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -13.575
InChIKey:ITSXAACFMFJCBK-UHFFFAOYSA-N
ID: 112389
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=CCCC1(C)C(CC=C(C)C)C1(O)C(=O)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.753
CB1 binding score: -17.503
InChIKey:KYTPRLGJBWBKPI-UHFFFAOYSA-N
ID: 112390
SMILES:C1(=C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 112391
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)(O)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 112392
SMILES:CC(=CCCC(C)=CCCC1=CC(C(c2c(O)c(O)cc(C)c2)=O)C(C(=C)C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -17.039
InChIKey:PFQKZZMQSABWRY-UHFFFAOYSA-N