ID: 113065
SMILES:C1(c2cc(O)c(C)c(CCCCC)c2)C(C(C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 314.513
CB1 binding score: -14.605
InChIKey:QKGOUIKAUKLLBJ-UHFFFAOYSA-N
ID: 113066
SMILES:C(CCC=C(C)C)(C)=CCCC1(C)Oc2cc(C)cc(O)c2C2C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -16.267
InChIKey:JURBYPNUXLGBNE-UHFFFAOYSA-N
ID: 113067
SMILES:CC(=C)C1C2C(c3c(O)cc(CCCCC)cc3O1)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.217
InChIKey:UPSNCHOAYRGULY-UHFFFAOYSA-N
ID: 113068
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1cc(C)c(O)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.792
InChIKey:OVLCNLKQINIQNN-UHFFFAOYSA-N
ID: 113069
SMILES:O=C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -18.334
InChIKey:HJLDQSFDBVFHQA-UHFFFAOYSA-N
ID: 113070
SMILES:C1(CC)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.236
InChIKey:ZJLSUAKSBPRRJC-UHFFFAOYSA-N
ID: 113071
SMILES:C1(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 113072
SMILES:Oc1cc2c(cc1C)OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.284
InChIKey:RHYOJDNWZOODRD-UHFFFAOYSA-N
ID: 113073
SMILES:C(C1C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.041
InChIKey:UGTCMDGLEKMCFP-UHFFFAOYSA-N
ID: 113074
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 113075
SMILES:CC1=CC(O)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.929
InChIKey:PBKDUXXLQRYSQQ-UHFFFAOYSA-N
ID: 113076
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 113077
SMILES:Oc1ccc2c(c1CC=C(C)C)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.344
InChIKey:QWDRQWJIEFPPBL-UHFFFAOYSA-N
ID: 113078
SMILES:C1C(C)=CC(c2c(OC(C)=O)cc(CCC)cc2O)C(C(C)=C)C1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.709
InChIKey:PRBVEJRYZRJECZ-UHFFFAOYSA-N
ID: 113079
SMILES:C(C(c1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)C1)=O)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.098
InChIKey:YKQOIMSJTJFFCM-UHFFFAOYSA-N
ID: 113080
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(OC)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 113081
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 113082
SMILES:O=C1OCC12c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -17.26
InChIKey:BTPPPYQEMGKDHH-UHFFFAOYSA-N
ID: 113083
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 113084
SMILES:c1(CCCCC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(=O)OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.166
InChIKey:WODKKFSNGBDCNE-UHFFFAOYSA-N
ID: 113085
SMILES:C(=CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)OC)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.929
InChIKey:YMAMEYWWCMAFEY-UHFFFAOYSA-N