ID: 91456
SMILES:c12c(O)c(C(=O)O)c(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 91457
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 91458
SMILES:Oc1cc(O)c(C(=O)CC(C)C)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.454
InChIKey:DRGZMEOMFRCYTD-UHFFFAOYSA-N
ID: 91459
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: 91460
SMILES:C(CC=C(C)C)C(C)=CCc1cc(OC)cc(CCCCCO)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -13.061
InChIKey:WSSKKFHFSOPYDW-UHFFFAOYSA-N
ID: 91461
SMILES:C1C(=C)C=CC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.453
InChIKey:LSDIESPCRGAXGU-UHFFFAOYSA-N
ID: 91462
SMILES:C(C)(C)=CC1CC2(C(C)C1)Oc1cc(CCCCC)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -13.883
InChIKey:XOAMNOWRDYBCDH-UHFFFAOYSA-N
ID: 91463
SMILES:C12CC(C)=CCC3C(c4c(cc(CCCCC)cc4O)OC(C)(C)C3=C1)OCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.476
InChIKey:FLRATJJFCWRKPV-UHFFFAOYSA-N
ID: 91464
SMILES:CC(=C)C12CCC(C)=CC1c1c(O)cc(CCCCCO)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -13.989
InChIKey:MOYUGTRCGWWTLU-UHFFFAOYSA-N
ID: 91465
SMILES:c1c(O)c2c(c(Cl)c1C)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.881
CB1 binding score: -14.303
InChIKey:ISVZIVZLYQCTDX-UHFFFAOYSA-N
ID: 91466
SMILES:C12C(C(C)=CCC3Oc4c(c(O)cc(CCCCC)c4)C13)C(C)CC(C(O)(C)C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.415
InChIKey:VGHQJCOUNNPAAV-UHFFFAOYSA-N
ID: 91467
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1(C)C1CC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.709
InChIKey:ZIBIFJHJDVTQDH-UHFFFAOYSA-N
ID: 91468
SMILES:CC(C)=CCCC1(C)Oc2c(O)cc(CCCCC)cc2C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.514
InChIKey:XMWYSMUBQGGZIP-UHFFFAOYSA-N
ID: 91469
SMILES:C(=C(C)C)CCC1(C)Oc2cc(CCCCC)cc(O)c2C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.376
InChIKey:AAZSXXIEAYXFSH-UHFFFAOYSA-N
ID: 91470
SMILES:O(C1C(O)C(O)C(O)C(CO)O1)c1c(C)c2c(c(COC)c1)CCC(C)(CC(c1c(O)cc(CCCCC)cc1O)=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 604.693
CB1 binding score: -16.377
InChIKey:HMGINILHZVIXMA-UHFFFAOYSA-N
ID: 91471
SMILES:CC1CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.898
InChIKey:SUVXTOCRTNYFMQ-UHFFFAOYSA-N
ID: 91472
SMILES:C1(CCCC(O)(C)C)(C)Oc2cc(CO)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -15.349
InChIKey:STAAHFWLURZFNA-UHFFFAOYSA-N
ID: 91473
SMILES:C(C=C(C)C)CC(=CCc1c(O)c(C2C=C(C)CCC2(C)C(=C)C)c(O)cc1O)C(C)(C)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -16.664
InChIKey:GKQQYAGCJSDMDL-UHFFFAOYSA-N
ID: 91474
SMILES:O(C1(C)CCC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1)C1OC(CO)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.625
CB1 binding score: -13.955
InChIKey:ZSMBMSMIOMLDTO-UHFFFAOYSA-N
ID: 91475
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.104
InChIKey:RUSNJCCUCAUYFM-UHFFFAOYSA-N
ID: 91476
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(C(=O)O)CCC1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14
InChIKey:SOOMFTNALPLXCD-UHFFFAOYSA-N