ID: 23332
SMILES:C1Oc2c(c(O)cc(CCCCCC)c2)C1C(C)(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -16.793
InChIKey:BCFUFYFWFRGYFO-UHFFFAOYSA-N
ID: 23333
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 23334
SMILES:CC(C(=O)OCCC)CCc1cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -14.435
InChIKey:JEBWYEGYXNECSU-UHFFFAOYSA-N
ID: 23335
SMILES:Oc1cc(CCCC)c(O)cc1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.334
InChIKey:COYJXQRXXDXJHV-UHFFFAOYSA-N
ID: 23336
SMILES:c12cc(C)ccc1C(C)(C)Oc1c-2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 23337
SMILES:CC(C)CC(c1cc2c(cc1OC)OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.598
InChIKey:YQCCKGRYHZKAIZ-UHFFFAOYSA-N
ID: 23338
SMILES:C(=C(C)C)CCC(C)C1C2c3c(O)cc(CCc4cccc(O)c4)cc3OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -12.689
InChIKey:CJFNNARQIMOCSH-UHFFFAOYSA-N
ID: 23339
SMILES:O(C)c1cc(CCCC)cc2c1C=C1C(C(C)(C)O2)CCC(O)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.99
InChIKey:WCZIBVOQOQGSQB-UHFFFAOYSA-N
ID: 23340
SMILES:C(C(C)C)C(OC(=O)C)C(=O)Oc1ccc(C2CC(C)=CC(c3c(OC)ccc(CCN(C)C)c3)C2C(C)=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 561.763
CB1 binding score: -14.552
InChIKey:WITWYVKRNCKHJC-UHFFFAOYSA-N
ID: 23341
SMILES:C(c1c(O)c(Cl)c2c(c1)OC(C)(C)C1CC=C(C)CC21)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.86
CB1 binding score: -17.334
InChIKey:VNAWRFNIBBBNQC-UHFFFAOYSA-N
ID: 23342
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(CCC=C(C)C)O2)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -17.426
InChIKey:YFPKTQYRZDPLSM-UHFFFAOYSA-N
ID: 23343
SMILES:C(C1)(C)(C)C=CC(O)C(=C)C12Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: Not available
InChIKey:IBCUUNPQICBHIH-UHFFFAOYSA-N
ID: 23344
SMILES:C1(C)=CC(c2c(O)cc(CCCC)cc2O)C(C(C)=C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.369
InChIKey:YUWDHDPGZUPROY-UHFFFAOYSA-N
ID: 23345
SMILES:C(C(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)C)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.716
InChIKey:XAJLXDVHEBEFEQ-UHFFFAOYSA-N
ID: 23346
SMILES:c1(S(N)(=O)=O)c(CCCC)cc2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 365.539
CB1 binding score: -16.427
InChIKey:GOLUVCZDIJZSER-UHFFFAOYSA-N
ID: 23347
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C(C)(C)C2CC1)CCC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.439
InChIKey:KCNNHVCGOMESKI-UHFFFAOYSA-N
ID: 23348
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 23349
SMILES:C(C(C)CCCC(C)C)(CCc1c2c(cc(C(=O)O)c1)OC(C)(C)C1C2CC(C)CC1)C(N)CS
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 503.793
CB1 binding score: -15.775
InChIKey:XVXYVPPNORQXMW-UHFFFAOYSA-N
ID: 23350
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C(=O)OC)CCC1(C)CC1C(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -17.792
InChIKey:KRYGCGBFKKEWII-UHFFFAOYSA-N
ID: 23351
SMILES:C(Cc1cc(OC)c(O)cc1)=C1C(=O)C2=C(C3C=C(C)CCC3C(C)(C)O2)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.467
CB1 binding score: -15.652
InChIKey:AXSJRSNAMHQELL-UHFFFAOYSA-N
ID: 23352
SMILES:C1(=O)CC(C(=O)C)(C)C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.299
InChIKey:STYJOXHXTSCUDY-UHFFFAOYSA-N