ID: 107038
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 107039
SMILES:c1(OC)c(O)c2c(cc1C)C(=O)C1c3c(O)cc(C)cc3OC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.456
CB1 binding score: -15.593
InChIKey:FAOBBMPEHDDALN-UHFFFAOYSA-N
ID: 107040
SMILES:O=S(C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.578
CB1 binding score: -11.244
InChIKey:ORGGMCSQJPHKLH-UHFFFAOYSA-N
ID: 107041
SMILES:c1c(C2C=C(CO)CCC2C(C)=C)cc(CC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -11.265
InChIKey:WDWLAKFLUMAGFS-UHFFFAOYSA-N
ID: 107042
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(=C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 107043
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 107044
SMILES:O1c2cc(CCCCC)cc(O)c2C(O)C=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -17.862
InChIKey:CKTVKLUZKROKMY-UHFFFAOYSA-N
ID: 107045
SMILES:c1c(C2C(C(C)=C)CCC(C)=C2)c(O)ccc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.401
InChIKey:YRXZLRWBEYIBHE-UHFFFAOYSA-N
ID: 107046
SMILES:C1(O)CC2(C)Oc3cc(CCCCC)ccc3C(C1(C(=C)C)O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.279
InChIKey:NXTCDZKGMSLJPS-UHFFFAOYSA-N
ID: 107047
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 107048
SMILES:CCOC(=O)c1cc(C2C=C(C)CCC2C(=C)C)c(O)c(C(C(C)CC)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.764
InChIKey:QUFVWXMKQBFPRS-UHFFFAOYSA-N
ID: 107049
SMILES:C12C(=C)CCC(C(=C)C)C1c1c(O)cc(C(C(C)C)O)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.377
InChIKey:GDVABVALEMQXME-UHFFFAOYSA-N
ID: 107050
SMILES:c1(CC(C(O)(C)C)O)ccc(C2C=C(C)CCC2C(=C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.531
InChIKey:VYNXAOJCKNWAKV-UHFFFAOYSA-N
ID: 107051
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C3OC3(C(C)C)CCC(C)(C=C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.638
InChIKey:LLIOKIPLGZLEOA-UHFFFAOYSA-N
ID: 107052
SMILES:C1(OC)=CC(=O)c2c(O)c(C3C=C(C)CCC3C(C)=C)c(O)cc2C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -15.522
InChIKey:POCNBPRFBJVKOD-UHFFFAOYSA-N
ID: 107053
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C=CC(C)=CC2C(O)C=C(C)C12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.901
InChIKey:HMGJCKPLIICEQJ-UHFFFAOYSA-N
ID: 107054
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C(=C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.185
InChIKey:NXENUHSYIPWNBA-UHFFFAOYSA-N
ID: 107055
SMILES:c1(C2=CCCC2C=O)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -14.553
InChIKey:NIDHYDGMLHXQEV-UHFFFAOYSA-N
ID: 107056
SMILES:C1(C(C)C)CC(O)C(C)=CC1c1c(O)cc(CCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -13.917
InChIKey:VOZYWYCCSUUBNW-UHFFFAOYSA-N
ID: 107057
SMILES:C(CC(C)=CCc1c(OC)cc(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 107058
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N