ID: 117937
SMILES:O=C1c2c(CCCCC)cc(O)cc2C2C(CC(C)(C)O2)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.655
InChIKey:XSELYAAVBBIHSC-UHFFFAOYSA-N
ID: 117938
SMILES:O1C(C2C(C)CC(C(C(C(=O)c3cc(O)cc(C)c3O)=O)O)=C1)(C)CC=C(CCC=C(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -15.699
InChIKey:YGUHYLCPHOYCGV-UHFFFAOYSA-N
ID: 117939
SMILES:C1C2C(C)(CC3(O)c4c(cc(CCCCC)cc4OC3=O)OC(C)(C)C1=O)C2CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -16.455
InChIKey:QBHBZUKLRPPJLW-UHFFFAOYSA-N
ID: 117940
SMILES:C1(=C(C)C)CC=C(C)CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.658
InChIKey:UKRGYTOZGHESFA-UHFFFAOYSA-N
ID: 117941
SMILES:CC(C1CCC(C)CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 117942
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.792
InChIKey:IEOYHNWUNCMPAY-UHFFFAOYSA-N
ID: 117943
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 117944
SMILES:C(Cc1cc(O)c(O)cc1)[n+]1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.562
CB1 binding score: -15.562
InChIKey:VFNDWCCGENDYAJ-UHFFFAOYSA-O
ID: 117945
SMILES:CC1(C)C2CC=C(C)CC2c2ccc(O)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -18.541
InChIKey:DXDRGIVLXHOGHC-UHFFFAOYSA-N
ID: 117946
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.752
InChIKey:MLYRWVDTDMGDFU-UHFFFAOYSA-N
ID: 117947
SMILES:CC(C)C1(O)CC(=O)C2(C)Oc3cc(CCCCC)cc(O)c3C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.177
InChIKey:QHRZNRIWRZOLET-UHFFFAOYSA-N
ID: 117948
SMILES:c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 117949
SMILES:c1(O)c2c(c(C=O)c(O)c1CCCCC)CC1C(C(O)(C)CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.273
InChIKey:QNUVTJWQXPNXJP-UHFFFAOYSA-N
ID: 117950
SMILES:C1C(c2c(O)cc(CCCCC)cc2OC)C2C(COC)C1(C)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -14.824
InChIKey:XARXRMRTPXJIGO-UHFFFAOYSA-N
ID: 117951
SMILES:C12C(OC(CC)=O)C(C(C)=C)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -12.753
InChIKey:GTYGNDOQBAQDAP-UHFFFAOYSA-N
ID: 117952
SMILES:C1CC(C)=C2CC3(C)CC(CC(C)C)c4c(O)cc(C)cc4OC3(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.41
InChIKey:VFDGJSMOMTYIPZ-UHFFFAOYSA-N
ID: 117953
SMILES:c1c(C=O)c(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -15.61
InChIKey:TXHUUAMJLUESMU-UHFFFAOYSA-N
ID: 117954
SMILES:CC1(O)CCC(C(C)=C)C1c1c(O)c(-c2c(O)cc(CCCCC)cc2O)cc(CC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.672
CB1 binding score: -16.166
InChIKey:GDVKZNOGUMAHOF-UHFFFAOYSA-N
ID: 117955
SMILES:Oc1c(C2C(C(C)=CCC=C(C)C)CCC(C)=C2)c(O)ccc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.365
InChIKey:PISKZJOUUPKNJI-UHFFFAOYSA-N
ID: 117956
SMILES:c1c(COCOCC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.036
InChIKey:VAPFJTCNJQZKME-UHFFFAOYSA-N
ID: 117957
SMILES:OC1Oc2c(c(O)cc(CCC)c2)C(CC(OCC)=O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.347
CB1 binding score: -16.757
InChIKey:SHAVLWDNRUPXOY-UHFFFAOYSA-N