ID: 125035
SMILES:C(c1cc(CCCCC)cc2c1c1c(cc2)CC(O)C(C)(C)O1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.884
InChIKey:WISGGLRSDHOXFG-UHFFFAOYSA-N
ID: 125036
SMILES:CC1(C)Oc2c(c(O)cc(C(CCC(=O)OC)(C)C)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -14.761
InChIKey:WLPMWHCIFOGNPL-UHFFFAOYSA-N
ID: 125037
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C3C2C(C(O)=O)=CC(=O)C3C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -14.08
InChIKey:CGZIKNAJAMWQPE-UHFFFAOYSA-N
ID: 125038
SMILES:Oc1cc(CC=C(CCC=C(C)C(=O)C(C=C(C)C)=O)C)c(O)cc1CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -14.658
InChIKey:IBTMUWZOJKAOQZ-UHFFFAOYSA-N
ID: 125039
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.945
InChIKey:BMHWBDFIQAZUEO-UHFFFAOYSA-N
ID: 125040
SMILES:c1(O)c(C2C(C(C)(C)OC(=O)c3ccccc3)CCC(C)=CC2)c(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -15.951
InChIKey:CLNVGSRYWXWXCP-UHFFFAOYSA-N
ID: 125041
SMILES:CC(C)C(=O)c1c(O)c(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -13.355
InChIKey:RJIMEMQSYJSMAO-UHFFFAOYSA-N
ID: 125042
SMILES:Oc1cc(C)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 125043
SMILES:CC=C(C=O)c1c(O)c(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.915
InChIKey:VNFWEJKXSFXNCC-UHFFFAOYSA-N
ID: 125044
SMILES:c1(O)cc(CCCCC)cc2c1OC1(CC2C(C)(O)C)C(=O)C2(C)CC1C=C(C)CC2C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -15.411
InChIKey:CBOCJPBOBCVHDL-UHFFFAOYSA-N
ID: 125045
SMILES:C(CC(NCC(=O)O)=O)CCc1ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.504
CB1 binding score: -16.497
InChIKey:WUCSJNZMDJUFMC-UHFFFAOYSA-N
ID: 125046
SMILES:C1(C(COc2cc(CCCCC)ccc2)=C)CC(C)CCC1C(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -15.287
InChIKey:QTKXJGXMRPRKCC-UHFFFAOYSA-N
ID: 125047
SMILES:CCCCc1cc(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: 125048
SMILES:c1(C=CCO)cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.484
InChIKey:REWJACCVFPFDIO-UHFFFAOYSA-N
ID: 125049
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 125050
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCCCC)c(Cl)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 350.93
CB1 binding score: -17.068
InChIKey:CLEJHVMESOMJBQ-UHFFFAOYSA-N
ID: 125051
SMILES:Oc1cc(O)cc(CCC(O)(CCCC2(C)OC(CCCCC)CC2)C)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.553
CB1 binding score: -12.294
InChIKey:PXAMXKIEVRQVGV-UHFFFAOYSA-N
ID: 125052
SMILES:O=C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.98
InChIKey:OBCBZMQQOFVCSH-UHFFFAOYSA-N
ID: 125053
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CCC(C)=C1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.854
InChIKey:LCTNRYLVUVEXLN-UHFFFAOYSA-N
ID: 125054
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 125055
SMILES:C1(=O)c2c(cc(C)c(O)c2)OC(C)(C)C2CC(C=O)=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -15.62
InChIKey:NVDFDSDBHNAQJB-UHFFFAOYSA-N