ID: 85051
SMILES:C1CC2C(c3c(O)cc(CCCCC)cc3O2)CC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.621
InChIKey:KHFMGRDGFGQKCF-UHFFFAOYSA-N
ID: 85052
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.951
InChIKey:CSAQQDLBKSCGOR-UHFFFAOYSA-N
ID: 85053
SMILES:C1=CC2C(C)(Oc3cc(CCCCC)cc(O)c32)CCC1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.113
InChIKey:KUDVKKDYWRUXSD-UHFFFAOYSA-N
ID: 85054
SMILES:Oc1c(C2C=C(C)CCC2C(C)=C)c(O)c(C(=O)CCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.406
InChIKey:OWSMHBVUMAAGNV-UHFFFAOYSA-N
ID: 85055
SMILES:CCCCCc1cc2c(c(O)c1)C1c3c(c(O)cc(O)c3)C(C)(C)C3CCC(C)C3CC1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -17.334
InChIKey:GTWCQTJAHVRAOE-UHFFFAOYSA-N
ID: 85056
SMILES:C(Cc1cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.433
InChIKey:OKKJAYNVVIALIZ-UHFFFAOYSA-N
ID: 85057
SMILES:C1(C)C2(C1O)C(C)(C)C2c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.929
InChIKey:RDUPVACXJPKUJR-UHFFFAOYSA-N
ID: 85058
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCC=CCC(CCCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.777
CB1 binding score: -15.636
InChIKey:VZDNXZCPZRLEOO-UHFFFAOYSA-N
ID: 85059
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 85060
SMILES:O=C1C2C(C(C)C)CCC(C)C2c2c(O)cc(CCCCC)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.98
InChIKey:LIWISFHJGRMVPR-UHFFFAOYSA-N
ID: 85061
SMILES:CC1(CCC(O)C(C)=C)CCCC2(C)Oc3cc(CCCCO)cc(O)c3C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -14.279
InChIKey:SYTRXFNYAVJEHK-UHFFFAOYSA-N
ID: 85062
SMILES:c1(CCCC)c(O)c(C(=O)CC(C)C)c2c(c1O)C1C(C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -16.745
InChIKey:NECUDWPVMONIBY-UHFFFAOYSA-N
ID: 85063
SMILES:C1(=O)OC(C)CC1c1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -13.394
InChIKey:WYWCKINPTUTOCB-UHFFFAOYSA-N
ID: 85064
SMILES:CC(=CCc1c(O)cc(CCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 85065
SMILES:CC(=O)Oc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.314
InChIKey:XRRLFSPZIYAQIL-UHFFFAOYSA-N
ID: 85066
SMILES:C(C)(C1C(O)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CC1)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.64
InChIKey:ZWAGDSQTIHFUGT-UHFFFAOYSA-N
ID: 85067
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(=C)C1CC(=O)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.591
InChIKey:FXHDOXCLJMNRNG-UHFFFAOYSA-N
ID: 85068
SMILES:C(C)(=C1C(c2c(O)cc(CCCC)cc2O)CC(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.675
InChIKey:MHMMEOISYYRGGG-UHFFFAOYSA-N
ID: 85069
SMILES:c12c(c(O)cc(CCCCC)c1)C1(O)C(CC(C(O)(C)C)O1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: Not available
InChIKey:CHJVOQHDZKWXOQ-UHFFFAOYSA-N
ID: 85070
SMILES:c1(O)c(C(C(C)CC)=O)c2c3c(c1O)OC(C)(C)C1CC=C(C)CC1C3(C(CC=C(C)C)O)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.616
CB1 binding score: -15.806
InChIKey:HCQGXVVWEGBPBA-UHFFFAOYSA-N
ID: 85071
SMILES:C1(=O)C2(C)CCC3C(C)(C)Oc4cc(CCCCC)cc(O)c4C3C2C(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.539
InChIKey:ZTKOMEAPDTYGST-UHFFFAOYSA-N