ID: 55273
SMILES:C(C)(C)C1C2(C)Oc3c(c(OC(=O)C)cc(CCCCC)c3)C2C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -17.318
InChIKey:YUQZFFIFWVXILK-UHFFFAOYSA-N
ID: 55274
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 55275
SMILES:CC1(C)Oc2cc(CCC)cc(O)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 55276
SMILES:C1CC(C(=O)CCC=C(C)C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.745
InChIKey:YOMLJXYPUCIUAV-UHFFFAOYSA-N
ID: 55277
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(C(=O)C(C)CC)c(O)cc3OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.901
InChIKey:LIILJFGNLAVJEO-UHFFFAOYSA-N
ID: 55278
SMILES:C1=CCC(C)(Cl)C=CC2c3c(cc(C)cc3O)OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.844
CB1 binding score: -15.865
InChIKey:ZAFYWEPUMYFMMD-UHFFFAOYSA-N
ID: 55279
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55280
SMILES:CC1(C)Oc2cccc(O)c2C2C1C(O)C(O)C2C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.043
InChIKey:FLQCRJNIHBSGHQ-UHFFFAOYSA-N
ID: 55281
SMILES:CC(C)(C1OC2CCC(C)CC2c2c(O)c(C(=O)OC)c(CCCCC)cc2O1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -12.702
InChIKey:WFPXCILGMOWCDZ-UHFFFAOYSA-N
ID: 55282
SMILES:CC1(O)CCC2(C(C)(O)CCC(C(=C)C)C2O)Oc2c1cc(O)cc2CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -15.639
InChIKey:UJCZQQVTEVQJEA-UHFFFAOYSA-N
ID: 55283
SMILES:CC12Oc3c(c(O)cc(CCC)c3)C=C1C(C)(C)C(=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.405
InChIKey:XFYNMTPFTKNOAT-UHFFFAOYSA-N
ID: 55284
SMILES:C(CCCC)Cc1cc2c(c(O)c1CC=C(C)C)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -16.408
InChIKey:FAGBSHGREKVKIU-UHFFFAOYSA-N
ID: 55285
SMILES:C1C(C=C)(C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.75
InChIKey:MVFQEITVCBZWPU-UHFFFAOYSA-N
ID: 55286
SMILES:O=C1C2C(C)(Oc3c1c(CCCCC)ccc3C1C(C(C)=C)CC(C(O)(C)C)O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.358
InChIKey:WTYDUOALUUNFDR-UHFFFAOYSA-N
ID: 55287
SMILES:c1(O)c2cc(c(CC=C(C)CCCC(C)=C)c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -18.222
InChIKey:HTQGSVTVOPHUKS-UHFFFAOYSA-N
ID: 55288
SMILES:COc1cc(CCCCC)ccc1-c1cc(CCCCCC)cc2c1C1CC(C)(O2)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.772
CB1 binding score: -15.153
InChIKey:GGJZTSQBZHWQNK-UHFFFAOYSA-N
ID: 55289
SMILES:C(CC)(C(=O)O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.146
InChIKey:DZRUZSXTBQNKDF-UHFFFAOYSA-N
ID: 55290
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3C(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.944
InChIKey:BNHIPIUQMWYYNY-UHFFFAOYSA-N
ID: 55291
SMILES:CC(=C)C=CCC(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.412
InChIKey:BTOBCSBNWDHYQM-UHFFFAOYSA-N
ID: 55292
SMILES:C1C2C(CC)c3c(cc(CCCCC)cc3O)OC1(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -13.528
InChIKey:FEGCOGGYCIUHCS-UHFFFAOYSA-N
ID: 55293
SMILES:Oc1c(C=O)c2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -18.019
InChIKey:QJLLNVQYOUAPFO-UHFFFAOYSA-N