ID: 136123
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(O)(C)CCC(C(C)C)=C1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 356.506
CB1 binding score: -14.995
InChIKey:UEUAIJPRDQFSDO-UHFFFAOYSA-N
ID: 136124
SMILES:CC1=CC2c3c(cc(C)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 136125
SMILES:C1(C)=C(CCC(C)(O)C=CCC2(C)C=Cc3c(ccc(O)c3)O2)C(=C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -17.391
InChIKey:AOCWLTLGDXFCIG-UHFFFAOYSA-N
ID: 136126
SMILES:O=C(c1cc2c(cc1)C(C)(C)Oc1c2ccc(C)c1)COCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.393
CB1 binding score: -15.178
InChIKey:RDBWVXAMSQLWSY-UHFFFAOYSA-N
ID: 136127
SMILES:CC(C)=CCCC(C)=CCc1cc(CCCC)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.208
InChIKey:PSMHNXSQELAMNN-UHFFFAOYSA-N
ID: 136128
SMILES:CC1(C)C2CCC(C)(OC(=O)C)C2Cc2c(cc(OC)cc2OC)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.495
InChIKey:NYCMRXVIRDYAHO-UHFFFAOYSA-N
ID: 136129
SMILES:CC(=CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -19.034
InChIKey:SKFPSWUXWVYQEV-UHFFFAOYSA-N
ID: 136130
SMILES:C(c1c(OC)c(O)c(C)c2c1OC(C)(C)c1c-2cc(C)cc1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.946
InChIKey:OBFVWWAMTHOVBB-UHFFFAOYSA-N
ID: 136131
SMILES:C1C(C(C)C)C(c2c(O)c(CC=C(C)C)c(CC=C(C)C)c(O)c2)CC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.055
InChIKey:KISLNTXJDXZCCH-UHFFFAOYSA-N
ID: 136132
SMILES:c1(O)c2c(ccc1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.909
InChIKey:LYSUWBVUIHOBOT-UHFFFAOYSA-N
ID: 136133
SMILES:c1(O)cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 136134
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 136135
SMILES:Oc1cc(CC=C)cc(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -19.892
InChIKey:IHDZBQSJFRBIMW-UHFFFAOYSA-N
ID: 136136
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.493
InChIKey:GOHCAWGXCQBVKC-UHFFFAOYSA-N
ID: 136137
SMILES:CC(OC1C2C(C)(C)Oc3cc(C)cc(O)c3C2C=C(C)C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.652
InChIKey:RIELRHHNPDKMFL-UHFFFAOYSA-N
ID: 136138
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(CO)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.012
InChIKey:VEHWLGBLVHIFQL-UHFFFAOYSA-N
ID: 136139
SMILES:CC1(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: 136140
SMILES:O1C(=O)C(C)C2C1C1c3c(O)cc(CCCCC)cc3OC1(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.1
InChIKey:AFJBLJFFDGATBD-UHFFFAOYSA-N
ID: 136141
SMILES:c1(O)cc(CCCCC)cc2c1C1C(CCC(C)(O)C1O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 136142
SMILES:C(c1cc2c(c(OC)c1)OC(C)(C)CC2CCCC)C(=CC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -12.828
InChIKey:MPEFIVUIDHYCOX-UHFFFAOYSA-N
ID: 136143
SMILES:C12(C)C(Cc3c(=O)ccccc3O1)C(CCCCC)C(=C(C)C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.42
InChIKey:FMMFGFLFPSNQHO-UHFFFAOYSA-N