ID: 64408
SMILES:c1c(O)c(C2C(C(C)C)CCC(C)=C2)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 300.486
CB1 binding score: -18.255
InChIKey:FVMNSBXLYRKHTD-UHFFFAOYSA-N
ID: 64409
SMILES:Oc1c(C(OC)=O)ccc(O)c1C1C(C(=C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -18.079
InChIKey:AYVVBMDDEODWMD-UHFFFAOYSA-N
ID: 64410
SMILES:C(Cc1cc2c(c(OC)c1OC)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.945
InChIKey:UJEDGFJXYQKDHW-UHFFFAOYSA-N
ID: 64411
SMILES:C1(O)Oc2c(c(CCCCC)cc(O)c2)C2C1(C)C(OC(=O)CCCCCCC)CCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.682
CB1 binding score: -15.056
InChIKey:ZFSJMROURFIDDZ-UHFFFAOYSA-N
ID: 64412
SMILES:C1(C)=CC2C(CC1)C(C)(CO)Oc1c2cc(O)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.495
InChIKey:KXDAADNEVRLBMT-UHFFFAOYSA-N
ID: 64413
SMILES:O(CCCCCCCC)c1c2c(c(C(OC)=O)c(C)c1)OC(C)(C)C1=CCC(O)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -16.276
InChIKey:NFJHDVDBDAOEFO-UHFFFAOYSA-N
ID: 64414
SMILES:C1C(C(C)=C)C(c2cc(CCN(C)C)ccc2O)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.458
CB1 binding score: -17.957
InChIKey:JVTBDUWWCYUSCG-UHFFFAOYSA-N
ID: 64415
SMILES:c1(CC(C)C)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.506
InChIKey:LCWPGHYENVNAJV-UHFFFAOYSA-N
ID: 64416
SMILES:C1CC2C(C=C(C)C=O)c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -12.594
InChIKey:MEEYTDVXSQNPFQ-UHFFFAOYSA-N
ID: 64417
SMILES:c1(O)c2c(cc(CCCC)c1)OC(C)(C)C1C2C(OC(=O)C)C(C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.036
InChIKey:WUEOZFGXVPYIJC-UHFFFAOYSA-N
ID: 64418
SMILES:CC(=CCCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -12.987
InChIKey:QLHXYAXNKMLIRA-UHFFFAOYSA-N
ID: 64419
SMILES:C12(C)Oc3c(c(OC)cc(CCC)c3)C(O)(CC1OC(=O)C)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -14.734
InChIKey:MJMXAISHJWQUHN-UHFFFAOYSA-N
ID: 64420
SMILES:C(=C(C)C)Cc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 64421
SMILES:C(C)C1(C)CCc2c(c3c(c(O)c2)-c2c(O)cc(CCCCC)cc2OC3(C)C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -14.553
InChIKey:ZTXVAVXSAVBYLL-UHFFFAOYSA-N
ID: 64422
SMILES:C1C(=O)C(C)CC2C1(O)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.389
InChIKey:WFZRQDFNXURLQF-UHFFFAOYSA-N
ID: 64423
SMILES:C1(C)=C2C(CC1O)C(C)(C)Oc1c2c(OC2C(O)C(O)C(O)C(CO)O2)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.474
CB1 binding score: -16.924
InChIKey:SMIKUBCMNLYSDG-UHFFFAOYSA-N
ID: 64424
SMILES:C(CCCCC)Cc1cc(O)c(C2CC(C)=CCC2C(CCC=C(C)C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.659
CB1 binding score: -17.009
InChIKey:JCQVPJNDUQSRGQ-UHFFFAOYSA-N
ID: 64425
SMILES:C1C2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.624
InChIKey:SFKCWCDDXYSANA-UHFFFAOYSA-N
ID: 64426
SMILES:C(Oc1cc2c(c(C(C)C(C)O)c1)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.014
InChIKey:CZUKVPHCEMCKCD-UHFFFAOYSA-N
ID: 64427
SMILES:C(Oc1c(C(c2ccccc2)=O)c(OC(=O)CCC)c2c3c1OC(C)(C)C1C3C(C(C)CC21)C(O)C(C)C)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.72
CB1 binding score: -13.898
InChIKey:NCXKDGPZBNPNGJ-UHFFFAOYSA-N
ID: 64428
SMILES:C12C(C)=CC(=O)C(O1)C(Oc1c(O)c3c(cc1CCCCC)OC(C)(C)C1C3C=C(CO)CC1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.589
CB1 binding score: -12.883
InChIKey:FUNRSNKUWGISPR-UHFFFAOYSA-N