ID: 42442
SMILES:C(=O)(OC)C1=CCC2(O)c3c(cc(C)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -14.29
InChIKey:BEBMSCNVJVTUBH-UHFFFAOYSA-N
ID: 42443
SMILES:C1(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.71
InChIKey:BNQBMPHSPNJQFE-UHFFFAOYSA-N
ID: 42444
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1OC(CCC3(C)CCC(C(C)C)C31)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -15.748
InChIKey:MQEJHPUJKDKPIP-UHFFFAOYSA-N
ID: 42445
SMILES:c1(CC=C(C)CCOC2(C)C(C)(C)CCC=C2C)c(O)cc(CCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.39
InChIKey:RYWQZFIKFWUCGN-UHFFFAOYSA-N
ID: 42446
SMILES:C1(C)C2(C)C(C(C)(Oc3cc(CCCCC)cc(O)c3O)C(O)CC1O)C=CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -15.525
InChIKey:XULOTWWBLAXETI-UHFFFAOYSA-N
ID: 42447
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(CCC)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.379
InChIKey:NVRCEYGURCMSIC-UHFFFAOYSA-N
ID: 42448
SMILES:C1=C(C(=O)OC)CCC2C1c1c(O)cc(C)cc1OC2(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 370.489
CB1 binding score: -16.502
InChIKey:RHAPKVAQNZERAA-UHFFFAOYSA-N
ID: 42449
SMILES:C1CCC2(C)Oc3c(c(O)cc(CCC)c3)C(O)C2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.645
InChIKey:BBIKWTSQEKKAKO-UHFFFAOYSA-N
ID: 42450
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 42451
SMILES:C12C(C)=CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.334
InChIKey:JRPARYVCKDQCGY-UHFFFAOYSA-N
ID: 42452
SMILES:OCC1CCC2(C)C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.131
InChIKey:IZIDMPRFTYISMX-UHFFFAOYSA-N
ID: 42453
SMILES:c1(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 42454
SMILES:c12c(ccc(C)c1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 42455
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(CO)O2)CC=C(C)C1=O)CC(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -16.306
InChIKey:WHVUZTRKTRRJPR-UHFFFAOYSA-N
ID: 42456
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 42457
SMILES:Oc1c(CC=C(C)CCC=C(C)C)cc(O)cc1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 42458
SMILES:c1(CCCN)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.43
CB1 binding score: -15.82
InChIKey:BPZINJKCESLWBZ-UHFFFAOYSA-N
ID: 42459
SMILES:CC1(C)Oc2c(c(OC)cc(CCC(C)C)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -14.762
InChIKey:XLDMZAGLYDZMBX-UHFFFAOYSA-N
ID: 42460
SMILES:OC(c1c(OC)cc(O)c2c1-c1c(cc(CCCCC)cc1O)OC2(C)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.444
CB1 binding score: -14.846
InChIKey:RKZPFWPUFFYFML-UHFFFAOYSA-N
ID: 42461
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C=C(C(O)=O)CCC=C(COC(C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -12.669
InChIKey:QOHKULBSQDSXLF-UHFFFAOYSA-N
ID: 42462
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(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