ID: 44395
SMILES:C(OC)(=O)C(c1c(O)cc(CCCCC)cc1O)C1OC(=O)C(CCC=C(C)C)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -12.829
InChIKey:PPXXZNSGNOWIKC-UHFFFAOYSA-N
ID: 44396
SMILES:C(C)(=CCc1c(OC)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -19.169
InChIKey:FCNLMUQPSJEBQE-UHFFFAOYSA-N
ID: 44397
SMILES:CCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.253
InChIKey:YQZKSASIODXUPT-UHFFFAOYSA-N
ID: 44398
SMILES:C(O)C1=CC2c3c(c(O)cc(CCCCC)c3)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.677
InChIKey:KOVIXEDIXZAYDD-UHFFFAOYSA-N
ID: 44399
SMILES:C1CC(C)=C(CCC(C)=CCCC(C)=CCc2c(O)cc(C)cc2O)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.587
CB1 binding score: -14.968
InChIKey:VDLVQLZGBFEIBY-UHFFFAOYSA-N
ID: 44400
SMILES:C12C(C)C(O)=CC1C(C)(C)Oc1cc(O)cc(C)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.056
InChIKey:COCRNKBDYRVJOY-UHFFFAOYSA-N
ID: 44401
SMILES:c1(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 44402
SMILES:c1c2ccc(C)c(-c3c(O)c(O)c4c(c3)OC(C)(C)C3C4C=C(C)CC3)c2c(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.754
CB1 binding score: -15.652
InChIKey:DUFJYGMJJOSZLC-UHFFFAOYSA-N
ID: 44403
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 44404
SMILES:O1c2c(c(O)c(C(O)=O)c(CCCCC)c2)C2CC(C(C)=C)CCC21C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.856
InChIKey:ROBNBVQKRJDVJF-UHFFFAOYSA-N
ID: 44405
SMILES:c12cc(ccc1O)C(C(CC)C)C(CNC1=CC(=O)CCC1)=CC2CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 393.571
CB1 binding score: -14.294
InChIKey:RRCRWRDRYXZIQI-UHFFFAOYSA-N
ID: 44406
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C=O)CC1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -17.123
InChIKey:OLYSCAIRJUTHJJ-UHFFFAOYSA-N
ID: 44407
SMILES:c1(CCCCC)cc2c3c(c1)OC(C)(C)C1CCC(C)=CCC1(C)C(CO3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.557
InChIKey:CBNZQBPXOXJKNB-UHFFFAOYSA-N
ID: 44408
SMILES:C1c2c(cc(C)c(OC)c2)OC2(C)C1C(C(C)(OCCCCC)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.282
InChIKey:WHODOYNCXOHOTA-UHFFFAOYSA-N
ID: 44409
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 44410
SMILES:c12c(c(C)c(C)cc1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.241
InChIKey:AHUCYLKWRFGGEY-UHFFFAOYSA-N
ID: 44411
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1=C2C(=O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.083
InChIKey:AYMRREFEEFYHLH-UHFFFAOYSA-N
ID: 44412
SMILES:C1C2C(=CC(=C)C1OO)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.092
InChIKey:AGYHLIVHDUFHDN-UHFFFAOYSA-N
ID: 44413
SMILES:C1(OC(C)=O)C2C(C)(C)Oc3c(c(OC)cc(CCC)c3)C(=O)C2=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.159
InChIKey:FQLFKAMPOBGUSD-UHFFFAOYSA-N
ID: 44414
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C1(C)C)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.62
InChIKey:NPMCKBUDGYKIRG-UHFFFAOYSA-N
ID: 44415
SMILES:CC1CCC(C(C)C)C(O)CC2(C)Oc3c(c(O)cc(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.592
CB1 binding score: -15.697
InChIKey:FPUJANTYBLDUTK-UHFFFAOYSA-N