ID: 45949
SMILES:C12C(c3c(O)cc(CCCCC)cc3OC1(C)C)CC(C)C1(O)C(=C(C)C(=O)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.234
InChIKey:KMKNLEDVKDXPSC-UHFFFAOYSA-N
ID: 45950
SMILES:O1C2C(C(C)C1=O)c1c(cc(CCCCC)cc1O)OC(C)(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.565
InChIKey:ZUYOABKFWGAEIC-UHFFFAOYSA-N
ID: 45951
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CO2)CCCC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -11.731
InChIKey:WSNCUGYJHXTTPO-UHFFFAOYSA-N
ID: 45952
SMILES:c1(CCCC)cc2c(c(O)c1)C1CC(C=O)(CC2C1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -13.687
InChIKey:NDAANNUWAHSVEL-UHFFFAOYSA-N
ID: 45953
SMILES:O=C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.384
CB1 binding score: -14.553
InChIKey:UJGOLTWHTCAVPW-UHFFFAOYSA-N
ID: 45954
SMILES:C1C2(O)CC3(C)C1(O)C(C)(Oc1c(cc(CCCCC)cc1O)O3)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.107
InChIKey:BCKHRAJCSVOWJI-UHFFFAOYSA-N
ID: 45955
SMILES:CC(CCC)CCC=CC(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.929
InChIKey:DTRFCALNWHTNJD-UHFFFAOYSA-N
ID: 45956
SMILES:C1(C)(C)C(CC=C(C(=O)O)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.463
InChIKey:NAFRLHKGCVERIP-UHFFFAOYSA-N
ID: 45957
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 45958
SMILES:c1c(CCCCC)cc2c(c1O)OC(C)(C)C1C2CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.91
InChIKey:IPSJPXACHYHRKO-UHFFFAOYSA-N
ID: 45959
SMILES:O=C(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21)C(C(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.941
InChIKey:CJUWIHXZNZQYMJ-UHFFFAOYSA-N
ID: 45960
SMILES:c1(O)c2c(cc(C)c1)OC(CCC(O)(C)C(C)C)(C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -15.467
InChIKey:BQRIQEPTTPGGPJ-UHFFFAOYSA-N
ID: 45961
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 45962
SMILES:c1(OC)c(O)ccc2c3c(ccc12)OC(C)(C)C1C3C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -15.058
InChIKey:KBCUNXJCZVTMDZ-UHFFFAOYSA-N
ID: 45963
SMILES:c1(C(CCC=C)C)c(O)cc(O)c2c1OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.306
InChIKey:TWOHLVCDAZYHEK-UHFFFAOYSA-N
ID: 45964
SMILES:C1=C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.875
InChIKey:MABLLFKQVKWWPG-UHFFFAOYSA-N
ID: 45965
SMILES:C12=C(C)CCC1(O)c1c(cc(C)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -15.617
InChIKey:OSSDVYZCXVCORK-UHFFFAOYSA-N
ID: 45966
SMILES:C1(c2c(O)cc(CCC)cc2O)CC(CO)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.151
InChIKey:AZTUVBOMHBDFTA-UHFFFAOYSA-N
ID: 45967
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.957
InChIKey:BXBPYYDKENEJGP-UHFFFAOYSA-N
ID: 45968
SMILES:c12c3c(C)c(CC)c(C)c1OC(C)(C)C(O)C2Oc1c-3c(OC)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -16.788
InChIKey:YRAWXUPDBQWHDC-UHFFFAOYSA-N
ID: 45969
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.743
InChIKey:AKAFEGGAUJRMOD-UHFFFAOYSA-N