ID: 82489
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.71
InChIKey:QQTIDTRRWYIZRE-UHFFFAOYSA-N
ID: 82490
SMILES:C1C=C(C)C2C(C(C)(C)Oc3c2c(O)c(Cl)c(C)c3)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.859
CB1 binding score: -15.854
InChIKey:GBTXZPNBIUPPME-UHFFFAOYSA-N
ID: 82491
SMILES:CC(CC(OCC(NC1(c2c(O)cc(CCC)cc2O)C(C)(C)CCC1)=O)O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 407.551
CB1 binding score: -13.887
InChIKey:LZAFAFPNRAEJEH-UHFFFAOYSA-N
ID: 82492
SMILES:C123CC(C(C)(C)C1C(OC(C)=O)CC2C)c1c(cc(CCC)cc1O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.837
InChIKey:QIIQTSQJDRMAKM-UHFFFAOYSA-N
ID: 82493
SMILES:C(=CCC)CCCCC(CCc1cc(C2C(C(=C)C)CCC3(C)C=CC(=O)C(C)=C32)c(O)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.729
CB1 binding score: -15.797
InChIKey:JOBDLFRMOLBYMI-UHFFFAOYSA-N
ID: 82494
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(COC(C)=O)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -12.761
InChIKey:ATLBYTDLSAQENN-UHFFFAOYSA-N
ID: 82495
SMILES:C1=C(C=O)CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.399
InChIKey:DJVYNVITKRORPP-UHFFFAOYSA-N
ID: 82496
SMILES:C(C=CCCCCC)CCc1c(C(=O)O)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.956
InChIKey:LQKOFJRGNNFXBY-UHFFFAOYSA-N
ID: 82497
SMILES:CC(C)=CCCC(=CC1C(O)(C(C=C(C)C)=O)Oc2c(c(O)cc(CCCCC)c2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -13.209
InChIKey:AKZUMFJULYTFBX-UHFFFAOYSA-N
ID: 82498
SMILES:CC(C)(C)C1=CCC2(C(O)=O)C3C(C)(CCC21C)Oc1cc(CCCCC)cc(O)c1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -14.364
InChIKey:MWHKNMASBQVJRC-UHFFFAOYSA-N
ID: 82499
SMILES:CCCCCCc1cc2c(c(O)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.357
InChIKey:QLJKRNAQULDIOJ-UHFFFAOYSA-N
ID: 82500
SMILES:O=C1C(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.046
InChIKey:UECUNLJHUBNWSC-UHFFFAOYSA-N
ID: 82501
SMILES:Oc1cc(CCCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 82502
SMILES:CC(=CCCC1(C)Oc2c(c(O)cc(CCCCCC)c2)CC1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.989
InChIKey:LILQJTGULSFPRP-UHFFFAOYSA-N
ID: 82503
SMILES:c1(O)cc(CCCC)cc2c1OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.879
InChIKey:WNSSGUWRFMVTAI-UHFFFAOYSA-N
ID: 82504
SMILES:O1c2cc(CCCCC)c(C(=O)O)c(O)c2CC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -20.196
InChIKey:ZFVHCPUONMELOD-UHFFFAOYSA-N
ID: 82505
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 82506
SMILES:c1c(CCC(=O)O)cc2c(c1O)C1=C(CCC(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.555
InChIKey:FMSFLWYBPLQJKG-UHFFFAOYSA-N
ID: 82507
SMILES:C(C)(C1C2(Oc3c(c(OC)cc(CCCCC)c3)C2O)C(O)(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -17.326
InChIKey:AGMITKGWXQGLCS-UHFFFAOYSA-N
ID: 82508
SMILES:C1(C(=C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 82509
SMILES:CC1=CC(c2c(O)cc(CCCCCO)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.184
InChIKey:ZKGKOAJUWMGRFB-UHFFFAOYSA-N