ID: 88600
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C(O)(CC2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.448
InChIKey:BWYKMGLXMGYQGR-UHFFFAOYSA-N
ID: 88601
SMILES:C12C(CCC1C)C(C)(C)Oc1cc(C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -18.57
InChIKey:JWVNDMUNWMFDDK-UHFFFAOYSA-N
ID: 88602
SMILES:c1(O)c(CCCCC)cc(O)c2c1OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.929
InChIKey:XTVHBIMUPSVOEJ-UHFFFAOYSA-N
ID: 88603
SMILES:CC12CC3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CCC(C)(O)C(C(=O)C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.237
InChIKey:PMIOMXCMZFFTKC-UHFFFAOYSA-N
ID: 88604
SMILES:C1(NC(=O)C)C(C(C)C)CCC(C)C12Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 387.564
CB1 binding score: -12.209
InChIKey:DLYNVCQOGSABSM-UHFFFAOYSA-N
ID: 88605
SMILES:C(CCCCCCc1cc2c(c(O)c1)C1C(C(=C)CCC1C(C)(O)C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.379
InChIKey:VJKAPUFDJXFPHM-UHFFFAOYSA-N
ID: 88606
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(OC(=O)C)c(OC(C)=O)c(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -17.579
InChIKey:LJSMDEJAVJIATD-UHFFFAOYSA-N
ID: 88607
SMILES:C1C(=O)C(C)CC2C1C(C)(C)Oc1cc(C)c(OC)c(Cl)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.832
CB1 binding score: -13.82
InChIKey:QRIJYNRERALQAC-UHFFFAOYSA-N
ID: 88608
SMILES:c1(C(C)(C)C)c(O)c2c(cc1C)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -10.937
InChIKey:LOXGNFJPILMEIZ-UHFFFAOYSA-N
ID: 88609
SMILES:CCCCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C(O)=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.284
InChIKey:HPXJNMKPDSRFCF-UHFFFAOYSA-N
ID: 88610
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12)NC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 331.412
CB1 binding score: -17.242
InChIKey:SVHNQIHEYSGTJO-UHFFFAOYSA-N
ID: 88611
SMILES:O(c1c2c(cc(C)c1)OC(C)(C)c1c-2cc(C)cc1)N
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 269.344
CB1 binding score: -16.017
InChIKey:GPBFVPBSLICMNI-UHFFFAOYSA-N
ID: 88612
SMILES:CC(=C)C1C2c3c(O)cc(C)cc3OC(C)(CC2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.254
InChIKey:QENLRJOYWFYLCQ-UHFFFAOYSA-N
ID: 88613
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 88614
SMILES:CC1(C)C2CCC(CO)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.233
InChIKey:LXSFNMQURHTPIT-UHFFFAOYSA-N
ID: 88615
SMILES:C1(O)C2C(C)(C)C3(C(C2)c2c(O)cc(CCCC)cc2O3)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.137
InChIKey:FXWMCPQEAGPFDI-UHFFFAOYSA-N
ID: 88616
SMILES:C1(C)C2CCC(C(=O)C)C2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: Not available
InChIKey:JRHSLXDRMVJDIU-UHFFFAOYSA-N
ID: 88617
SMILES:O=C(OC)C1=CC(C)C2C(C1)C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -13.99
InChIKey:LDSDPMRWYYYKSS-UHFFFAOYSA-N
ID: 88618
SMILES:C1=CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C1C(O)(C)CCC3C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.885
InChIKey:JQKRXECCFUEGBK-UHFFFAOYSA-N
ID: 88619
SMILES:C(CCCCC(=O)Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CC=C(C)CC12)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -14.083
InChIKey:YIFMGPZFCZHNDK-UHFFFAOYSA-N
ID: 88620
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N