ID: 38578
SMILES:O1C2C3C(OC(=O)c4cccc(OC(C)=O)c4)C(C)=CC4c5c(ccc(CCCCC)c5)OC4(C=C1)C3C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 558.671
CB1 binding score: -14.419
InChIKey:BQPVGYQMGMFRJB-UHFFFAOYSA-N
ID: 38579
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 38580
SMILES:c1(C(C)C)c(O)c(Oc2cc(CCCCC)cc(O)c2C(Cc2ccc(O)cc2)C(O)=O)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 628.806
CB1 binding score: -15.929
InChIKey:OZVMDYDNEAUZSL-UHFFFAOYSA-N
ID: 38581
SMILES:C12(CCC3(C(C)C)CC31)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -12.474
InChIKey:DCZKMGDHAWTGON-UHFFFAOYSA-N
ID: 38582
SMILES:C1(C)=CC(c2c(O)cccc2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 38583
SMILES:C12CCC(=C)C(O)CC1(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.929
InChIKey:KXOJUANLTCPWBD-UHFFFAOYSA-N
ID: 38584
SMILES:C(O)C1CC=CC2(C)CCC(C(=C)C)C(c3c(O)cc(CCCCC)cc3O)OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.558
InChIKey:QGERECWNWLMCOU-UHFFFAOYSA-N
ID: 38585
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1C=C(C(O)=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 38586
SMILES:Oc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.852
InChIKey:SFUFRHMPPGZMCA-UHFFFAOYSA-N
ID: 38587
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 38588
SMILES:C12(C)Oc3c(c(O)cc(CCC)c3)C(C)C1CCC1(CO1)C1C(C(C)CC1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -12.938
InChIKey:UNSNRLKKYYGBQE-UHFFFAOYSA-N
ID: 38589
SMILES:C(CCC)Cc1cc2c(c(OC)c1)C1C=C(CO)CCC1COC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.042
InChIKey:WUJHHJATMRRFNU-UHFFFAOYSA-N
ID: 38590
SMILES:C(CCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.953
InChIKey:CETMMQQLMUVHOY-UHFFFAOYSA-N
ID: 38591
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(OC)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 38592
SMILES:C(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 38593
SMILES:C(C1=CC2C(C(C)(C)Oc3cc(CCCCCCC)cc(OC4OC(CO)C(O)C(O)C4O)c32)CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.718
CB1 binding score: -15.178
InChIKey:FSKJHPADBGKXBH-UHFFFAOYSA-N
ID: 38594
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 38595
SMILES:OC1C(OC2C3(C)CCC4C(C)(C)Oc5cc(CCCCC)cc(O)c5C4C3O2)OC(CO)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.635
CB1 binding score: -14.14
InChIKey:SUFKUIQSVAZJLK-UHFFFAOYSA-N
ID: 38596
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 38597
SMILES:C1C(C(O)(C)C)OC(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.418
CB1 binding score: -16.716
InChIKey:LXOYLEBHFLIXIW-UHFFFAOYSA-N
ID: 38598
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N