ID: 18628
SMILES:CC1(C)Oc2cc3c(cc2C(O)CC1)OC(C)(C)C1C3C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -12.816
InChIKey:RCOCQOLRKZLFMM-UHFFFAOYSA-N
ID: 18629
SMILES:O(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(OC)c1)CC=CC=CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.807
InChIKey:YMFCVUZWQCBKGJ-UHFFFAOYSA-N
ID: 18630
SMILES:C(CCCC)c1cc2c(c(O)c1CC=C(CCCC(C)=C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -15.285
InChIKey:PSGZMRIGUKSNFS-UHFFFAOYSA-N
ID: 18631
SMILES:C1(CO)CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.716
InChIKey:OBOOCKIQYIMRTF-UHFFFAOYSA-N
ID: 18632
SMILES:CC1=CCCC(=C)C2C(CC1)C(C)(C)Oc1c2ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.413
InChIKey:PKRZMMGVVONGJN-UHFFFAOYSA-N
ID: 18633
SMILES:c12c(c(O)cc(CCCCC)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
ID: 18634
SMILES:C1C(C)C(CCC(C)CC(c2cc(CCC)cc(O)c2)(c2ccccc2)CC)C(C(=O)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -15.43
InChIKey:JTAHZRDGIBLNKX-UHFFFAOYSA-N
ID: 18635
SMILES:O=C(CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2ccccc21)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -14.238
InChIKey:XKAUINFNVJYIME-UHFFFAOYSA-N
ID: 18636
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 18637
SMILES:Oc1cc2c(c(C(=O)CC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.031
InChIKey:DXELASJMBWRKQY-UHFFFAOYSA-N
ID: 18638
SMILES:Cc1ccc2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 18639
SMILES:CC(CO)(O)C=Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.165
InChIKey:UGLZQVSNNODPSH-UHFFFAOYSA-N
ID: 18640
SMILES:O=C(C1(C)C=C2c3cc(CCCCC)cc(O)c3C(=O)C2C1C=C(C)CCC=C(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -14.454
InChIKey:OAHRZCIGPBXDCP-UHFFFAOYSA-N
ID: 18641
SMILES:C1(C(C)(O)CO)CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -13.583
InChIKey:RDZUVEAPLLLTCI-UHFFFAOYSA-N
ID: 18642
SMILES:C1=C(C(=O)O)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.496
InChIKey:GLELXQOALSIMRJ-UHFFFAOYSA-N
ID: 18643
SMILES:CCCCCc1cc(OC(=O)C)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -18.767
InChIKey:OGCCABVUOZBTQV-UHFFFAOYSA-N
ID: 18644
SMILES:C(C(CCCC1(C)Oc2c(C(OC)=O)c(O)cc(CCCCC)c2)=CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -13.438
InChIKey:BBFFFEJLLLNHAD-UHFFFAOYSA-N
ID: 18645
SMILES:C1C2(C)C(C3C(C(C)C)C(OC3=O)Oc3cc(CCCCC)cc(O)c32)CC=C(C)C2C1C=C(C(=O)OC)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.736
CB1 binding score: -11.712
InChIKey:SPOIVMZUCDEHFS-UHFFFAOYSA-N
ID: 18646
SMILES:O(C)c1c(O)c(C)cc2c1C1C(C(C)(C)O2)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -17.162
InChIKey:PRZSDYYSVYQPCG-UHFFFAOYSA-N
ID: 18647
SMILES:c1c(C)cc2c(c1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -21.105
InChIKey:SVTKBAIRFMXQQF-UHFFFAOYSA-N
ID: 18648
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N