ID: 42358
SMILES:C(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C(C)(O)CC1)(C)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -17.218
InChIKey:HEPWXWIINPIOPA-UHFFFAOYSA-N
ID: 42359
SMILES:C12([N+]#[C-])C(CCC1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 327.468
CB1 binding score: -15.068
InChIKey:WYAIURFWMIMITF-UHFFFAOYSA-N
ID: 42360
SMILES:C1CCCC12c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.357
InChIKey:PEQYMWNSTRXPIO-UHFFFAOYSA-N
ID: 42361
SMILES:C12C(CO)(C)CCCC1c1c(cc(C)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -16.705
InChIKey:JRHMHVYECCESLD-UHFFFAOYSA-N
ID: 42362
SMILES:C(C)C(OCC(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -14.532
InChIKey:XCRJFYUMSALOIR-UHFFFAOYSA-N
ID: 42363
SMILES:C(CCCO)c1ccc(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.334
InChIKey:YYEWRZDOXZOGMO-UHFFFAOYSA-N
ID: 42364
SMILES:C(CCC=O)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -19.103
InChIKey:ZIKPXWUDKOXYDN-UHFFFAOYSA-N
ID: 42365
SMILES:CC1(c2c(C=O)cc(CCCCC)cc2O)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -14.553
InChIKey:MPEWTYPBGGXVLG-UHFFFAOYSA-N
ID: 42366
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 42367
SMILES:c12c(c(OC)cc(CCCCCC)c1)C1C(C(O)(C)CCC=C(C)C)OC(C)(CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.657
CB1 binding score: -14.746
InChIKey:XOIOBOLNZFYBLZ-UHFFFAOYSA-N
ID: 42368
SMILES:C1(C=C(C)C)c2c(c3c(cc(CCC)cc3O)OC(C)(C)C=C2)OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -16.509
InChIKey:GEAPXDZJVNAZFE-UHFFFAOYSA-N
ID: 42369
SMILES:C1(=O)C=C(C)C2C(c3c(O)cc(CCC)cc3OC2(C)C)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.323
InChIKey:JUHQSJNDJFLIHW-UHFFFAOYSA-N
ID: 42370
SMILES:c12c(O)cc(C)cc1OC(C)(C)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -16.956
InChIKey:BNFRTRXUCNUZQD-UHFFFAOYSA-N
ID: 42371
SMILES:C(=CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)(O)CCC12)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -17.989
InChIKey:UMCLKKXQXAPJCL-UHFFFAOYSA-N
ID: 42372
SMILES:N(CCCC)COc1c2c(cc(C(O)C)c1)OC13CC2C(CC1)C3(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 359.51
CB1 binding score: -15.62
InChIKey:CYVOXIXZSXSBHT-UHFFFAOYSA-N
ID: 42373
SMILES:C1C(Br)C(C)(Cl)CC2C1(O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 445.825
CB1 binding score: -13.35
InChIKey:JXYAPOAOFDSTSZ-UHFFFAOYSA-N
ID: 42374
SMILES:C(C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C)OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.322
InChIKey:RKOLGYJEMHPARA-UHFFFAOYSA-N
ID: 42375
SMILES:C1CC(C)C2(C)C3(C=C(C)C2c2c(O)cc(CCCCCC[N+](C)(O)C)cc2O3)C2C(C(C)(C)C1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.756
CB1 binding score: -11.9
InChIKey:UENHLMDBFBUADV-UHFFFAOYSA-O
ID: 42376
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42377
SMILES:C(CC1(C)C2C(C)(Oc3c(c(O)cc(CCC)c3)C2)CCC1O)CC(C=C1OC(=O)C(C)=C1)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: -14.402
InChIKey:FHFQNUSAXSUBFA-UHFFFAOYSA-N
ID: 42378
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N