ID: 77617
SMILES:OC(C1(C)C2C(C)(Oc3c(c(O)cc(CCC)c3)C2O)CCC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -12.643
InChIKey:XHCKGTTVVOXQKX-UHFFFAOYSA-N
ID: 77618
SMILES:C1C2C(C)(Oc3c(c(O)cc(CCC)c3)C2O)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.097
InChIKey:XLENQAZIZOAWTL-UHFFFAOYSA-N
ID: 77619
SMILES:C1(c2c(C(O)=O)c(O)cc(CCCCC)c2)C=C(C)CCC1(CCCCCC)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.428
InChIKey:MGEVPKIVUJYAHK-UHFFFAOYSA-N
ID: 77620
SMILES:c12c(c3c(cc(CCCCC)cc3O)OC(C)(CCC=C(C)C)C1)ccc(O)c2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.871
InChIKey:RAFWVWRVIUPVLV-UHFFFAOYSA-N
ID: 77621
SMILES:CC(C)=CC1CC(C)C2OC(C)(C(OC)=O)CC1c1c(O)cc(CCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -14.577
InChIKey:KBXKKVMBRWZDPS-UHFFFAOYSA-N
ID: 77622
SMILES:C(=Cc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.603
InChIKey:GPZAQGQTQYAFFC-UHFFFAOYSA-N
ID: 77623
SMILES:C12(O)C(=O)C(O)C(O)(C)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -11.86
InChIKey:GTOCHWKXAOESBV-UHFFFAOYSA-N
ID: 77624
SMILES:CC(=CCCC1(C)Oc2c(O)c(C(=O)O)c(CCCCC)cc2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.249
InChIKey:PQULFCBTMRPCRZ-UHFFFAOYSA-N
ID: 77625
SMILES:O(c1c2c(c(C)cc1O)C(O)C1C(C)=CC(C)CC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.674
InChIKey:ZBYGVDYRRRCWJH-UHFFFAOYSA-N
ID: 77626
SMILES:C(OCCCc1ccccc1)c1cc(OC)c2c(c1C)OC(C)(C)C1CC=C(C(OCC)=O)C(OC(CC(C)C)=O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.746
CB1 binding score: -15.842
InChIKey:IWQZRMSWNWQVEQ-UHFFFAOYSA-N
ID: 77627
SMILES:C(CCc1c(C(O)=O)c2c(cc1OC)OC(C)(C)c1ccc(C)cc1-2)C(C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -13.842
InChIKey:LQSAGGJLPDIRIY-UHFFFAOYSA-N
ID: 77628
SMILES:C(CC=C(C)C)C1(C)Oc2cc(CCCCC)c(O)c(O)c2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.706
InChIKey:GEUHDJTXTJLBGV-UHFFFAOYSA-N
ID: 77629
SMILES:C(C)(C)=CCCC(C)=CCc1c(O)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 77630
SMILES:CC1(C)C2CC(=O)C(C)=CC2c2c(cc(C(C)(C)O)cc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.799
InChIKey:BQUKTGRXKRTVHT-UHFFFAOYSA-N
ID: 77631
SMILES:C1C2C(C)(C)Oc3cc(CCSC)c(OC(C)=O)c(c32)C2OC(=O)C(=C2)CCC=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.577
CB1 binding score: -15.745
InChIKey:XQEUJUPYSGSCEE-UHFFFAOYSA-N
ID: 77632
SMILES:c1(O)cc(C)c(-c2cc(CCCC(O)=O)cc(O)c2)c(O)c1CC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: -15.438
InChIKey:DITCCWATWQKPAG-UHFFFAOYSA-N
ID: 77633
SMILES:C(C)(C)=CCc1c(-c2c(O)c3c(cc(O)c(CC=C(C)CCC=C(C)C)c3CCCC(C)C)c(O)c2)cc(O)c2c1OC(C)(C)C1CC=C(C)C(CCC(C)=CC2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 791.126
CB1 binding score: -13.962
InChIKey:NZHOPNVRUJZVLN-UHFFFAOYSA-N
ID: 77634
SMILES:c12cc(CCCCCC)cc(O)c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.575
InChIKey:NXPNWMQZZRHKHX-UHFFFAOYSA-N
ID: 77635
SMILES:CC1(C)CCc2c(ccc(CCCCC)c2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -15.899
InChIKey:DARWDSGNYUHLFV-UHFFFAOYSA-N
ID: 77636
SMILES:C1(C)=CC2C(CCC=C(C)C)(C)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: Not available
InChIKey:LRYMAVVQOQUOQI-UHFFFAOYSA-N
ID: 77637
SMILES:Oc1c(Cl)c2c3c(c1C)OC(C)(C)C1C3C=C(C)CC1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.817
CB1 binding score: -12.478
InChIKey:IXHXWYOXXWBANC-UHFFFAOYSA-N