ID: 22891
SMILES:CC1(C)CC(O)C(O)C2(C)Oc3c(c(O)cc(CCC)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -11.639
InChIKey:KORAPZQRSIVKNQ-UHFFFAOYSA-N
ID: 22892
SMILES:C1(C)=C2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(OC(=O)C)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.468
InChIKey:XDBYXJNRBZUROP-UHFFFAOYSA-N
ID: 22893
SMILES:C(c1ccccc1)CN=C(O)CC(c1cc(OC)c(C2C=C(C)CCC2C(=C)C)c(O)c1O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.574
CB1 binding score: -14.474
InChIKey:XQVORFLSWAYHOG-UHFFFAOYSA-N
ID: 22894
SMILES:C1(C)=CCC2C(c3c(cc(CCCC)cc3O)OC2(C)C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.593
InChIKey:SKBVIWIJIKPILD-UHFFFAOYSA-N
ID: 22895
SMILES:C1C2C(C)(CC(O)CC(C)=C)CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.781
InChIKey:KBKPIQPCGGPTFG-UHFFFAOYSA-N
ID: 22896
SMILES:c1c2c(cc(C)c1)OC(C)(C)C(OC(=O)CCCCCCCCC)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.943
InChIKey:UPZDMQFPRDTMLV-UHFFFAOYSA-N
ID: 22897
SMILES:CC1(C)CCCC(=C)C1Oc1cc(CCCCC)c(C#N)c(O)c1COC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 399.531
CB1 binding score: -16.863
InChIKey:SEADDGNMCYCOOM-UHFFFAOYSA-N
ID: 22898
SMILES:C(C)(OC(=O)C)CC1C(C)(C)Oc2c3c(c4c(c2)C(OCC(C)C)C=CC(=C)C4)OC(C)(C)C13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -14.039
InChIKey:XOLIUCWGXMUNDS-UHFFFAOYSA-N
ID: 22899
SMILES:C(O)C1=CC2c3c(CCCCCC)cc(O)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.717
InChIKey:HCDPAOCKOHHPQN-UHFFFAOYSA-N
ID: 22900
SMILES:C1CC(C)(C)C2C1(c1c(O)cc(CCCCC)cc1O)C(OC)C=C(CO)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -16.827
InChIKey:PENBQRMLNPMGPF-UHFFFAOYSA-N
ID: 22901
SMILES:O1C(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)c(OC(C)=O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.321
InChIKey:VEZVRMSYECJVQE-UHFFFAOYSA-N
ID: 22902
SMILES:C(CCC)CCc1cc(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -18.06
InChIKey:DUNLYOQOJQUZRD-UHFFFAOYSA-N
ID: 22903
SMILES:c1(C)c(-c2c(O)cc3c(c2O)C=CC(C)(CCC=C(C)C)O3)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -14
InChIKey:VPQDYNVQKQTYPW-UHFFFAOYSA-N
ID: 22904
SMILES:COc1c(C(=O)O)c(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.667
InChIKey:HZBPQVXVRXRAFS-UHFFFAOYSA-N
ID: 22905
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 22906
SMILES:CC1=CC(=O)C2C(C)(CCCC2(C)C)C12Oc1c(c(O)cc(CCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -17.586
InChIKey:VCNTXZZWZAPSOA-UHFFFAOYSA-N
ID: 22907
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 22908
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C=O)=CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 22909
SMILES:C(=C(C)C)CCc1cc(C2C=C(C)CCC2C(=C)C)c(OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -15.676
InChIKey:IESZAAOVSTVDRD-UHFFFAOYSA-N
ID: 22910
SMILES:C12c3c(cc(CCC)cc3O)OC3(C)CC(O1)C(C)(C)CC(C)=C32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.892
InChIKey:IXPWYYRVHMVVPN-UHFFFAOYSA-N
ID: 22911
SMILES:CC12CCC3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C3C1C(C)(O)CCC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -12.839
InChIKey:RHOMYDMZQURUFK-UHFFFAOYSA-N