ID: 115102
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 115103
SMILES:C12(C(C)C)C(O1)C(O)c1cc(CCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.134
InChIKey:ZGAHNIWYLFEYRX-UHFFFAOYSA-N
ID: 115104
SMILES:N(c1cc(O)cc(C2C=C(CO)CCC2C(C)=C)c1)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.43
CB1 binding score: -12.756
InChIKey:XMDRDBMCPREERA-UHFFFAOYSA-N
ID: 115105
SMILES:CC(=CCc1c(O)c(C(=O)C(C)CC)c(O)c2c1OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -18.729
InChIKey:HNNONXKABSLOLC-UHFFFAOYSA-N
ID: 115106
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 115107
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1(O)C(O)C(C=O)=CC2=CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -11.821
InChIKey:ZKAYJNWHXLVGOV-UHFFFAOYSA-N
ID: 115108
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 115109
SMILES:c1c(OC2C(O)C(O)C(O)C(CO)O2)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.55
CB1 binding score: -13.842
InChIKey:XJYCEIOAZLYBJA-UHFFFAOYSA-N
ID: 115110
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 115111
SMILES:C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 115112
SMILES:O1C(C)=CC2C3=C(CC=C(C)C)C(=O)C(C1(C)C)OC(C)(C)C3CC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.361
InChIKey:XWSQTGSYMSOAEV-UHFFFAOYSA-N
ID: 115113
SMILES:CC1(C)C2C1CC(C(C)(O)C)C(c1cc(CCCCC)cc(O)c1)(O)C=C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.38
InChIKey:ASGNJUYTKBSSGD-UHFFFAOYSA-N
ID: 115114
SMILES:CC(C)C1CCC2(C)C1Cc1c(O)cc(CCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.123
InChIKey:AFDMCGCTXVNRHN-UHFFFAOYSA-N
ID: 115115
SMILES:c12cc(CCCCC)cc(O)c1C=CC(C)(CCC=C(CCC(O)C(C)(C)O)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -17.792
InChIKey:IYHHISBMYUVEMX-UHFFFAOYSA-N
ID: 115116
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 115117
SMILES:c1(C(CC)(C)C)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 316.485
CB1 binding score: -14.179
InChIKey:HXPUPCXTAVDCIV-UHFFFAOYSA-N
ID: 115118
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 115119
SMILES:CC(CC(=O)CC(C)C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.918
InChIKey:PYCOHCZJLOOFKB-UHFFFAOYSA-N
ID: 115120
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1C(C)(OC(=O)C)CCC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.4
InChIKey:JSQKDTWFZMHTFR-UHFFFAOYSA-N
ID: 115121
SMILES:c1c(O)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 115122
SMILES:c1c(C2C=C(C)CCC2C(C)=C)c(O)c(C(=O)CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.591
InChIKey:RVKMCYXGYRELMP-UHFFFAOYSA-N