ID: 36541
SMILES:CC(O)(C1Oc2c(c(O)cc(CCCCCC)c2)C1O)CCCC(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.526
CB1 binding score: -13.712
InChIKey:YDBNYRRGLGRHNX-UHFFFAOYSA-N
ID: 36542
SMILES:Oc1c(C(=O)C(C)C)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.189
InChIKey:ZYWUQCDKZKKBOG-UHFFFAOYSA-N
ID: 36543
SMILES:c1(CCCCC)cc(OC2OC(CO)C(O)C(O)C2O)c(CC=C(C)C)c(OC(=O)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.544
CB1 binding score: -15.422
InChIKey:BIHQTWURAHTXDT-UHFFFAOYSA-N
ID: 36544
SMILES:c1(O)cc(CCCCC)cc2c1-c1c(ccc(CO)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.455
InChIKey:YDKZOUNVEIGJPO-UHFFFAOYSA-N
ID: 36545
SMILES:O1c2c(c(O)cc(C)c2)C2C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 36546
SMILES:O=C1CC2C=C(C)CCC2C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.144
InChIKey:PGBPSHZUDBDRRK-UHFFFAOYSA-N
ID: 36547
SMILES:C(CC)CCc1c2c(c3c(c1)OC(C)(C)C1C3C=C(CO)CC1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -11.984
InChIKey:GOCLRDHROMYSPH-UHFFFAOYSA-N
ID: 36548
SMILES:C(=C(C)C)Cc1c(O)c2c(c(C(CC)OC(=O)C)c1)OC(C)(C)C1C(=C(C)CC1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.175
InChIKey:WALAZWPUABEMPT-UHFFFAOYSA-N
ID: 36549
SMILES:C(C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C)C(CCCC(C)CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.658
CB1 binding score: -12.857
InChIKey:SNXMMCCJWXLTSV-UHFFFAOYSA-N
ID: 36550
SMILES:CC(CO)=CC1=C(O)C2(Oc3c(c(O)cc(C)c3)C2)C(C)(C)C(C=CC(C)=C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -12.912
InChIKey:WTOSDNINCCGBPA-UHFFFAOYSA-N
ID: 36551
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1OC(=O)C(C)=CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.929
InChIKey:HBCJHAAIURFRQM-UHFFFAOYSA-N
ID: 36552
SMILES:C1(C)CC2C(O)(CC1=O)C(C)(O)COc1cc(CCCCC)cc(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -13.877
InChIKey:QNQOSIBJZIJPDM-UHFFFAOYSA-N
ID: 36553
SMILES:C1(c2c(O)cc(CCC)cc2O)=CC(C)(C)C(CC=C(C)C)CC1=CC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.192
InChIKey:ORKYRRREYSWNBR-UHFFFAOYSA-N
ID: 36554
SMILES:c12cc(CCCCCC)ccc1OC(CCC1(O)C(C)(C)CCCC1(C)O)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -13.146
InChIKey:DBTFZQNAQCRNNK-UHFFFAOYSA-N
ID: 36555
SMILES:C1=C(C)CCC(C(CC=CC(C)(O)C)=C)C1c1c(OC)ccc(CC[N+](O)=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.539
CB1 binding score: -14.197
InChIKey:HZEJGXDBWQXXOF-UHFFFAOYSA-N
ID: 36556
SMILES:C(=C(C)C(CCCC)O)CC(C)=CCc1c(O)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.648
InChIKey:YUFFJSKGBJJZDM-UHFFFAOYSA-N
ID: 36557
SMILES:O1C2(CC(OC)OC2)C2(C)C(C(CO)=CC1O)c1c(c(CCCCC)cc(O)c1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.502
CB1 binding score: -15.369
InChIKey:BQVILQICSBNZRR-UHFFFAOYSA-N
ID: 36558
SMILES:c1(O)cc2c(cc1)c1c(cc2C)OC(C)(C)C2CCC(C)(O)C(C21)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: Not available
InChIKey:JUMCBQZWCNYZMU-UHFFFAOYSA-N
ID: 36559
SMILES:C1C(C(C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 36560
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(C)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 36561
SMILES:c1(CC=C)cc2c(cc1C)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.427
CB1 binding score: -14.411
InChIKey:QHHBBDLSLOVBCK-UHFFFAOYSA-N