ID: 97042
SMILES:CC(=CCCC(=CCc1c(O)cc2c(c1OC1C(O)C(O)C(O)C(CO)O1)C1CC(C)(C)C=CC1(O)C(C)(C)O2)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 588.738
CB1 binding score: -12.137
InChIKey:NLJUEWAHXQILPO-UHFFFAOYSA-N
ID: 97043
SMILES:Oc1cc(CCCCC)cc(O)c1C1CC(CO)=CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.293
InChIKey:VAHUUHMSLIHMFN-UHFFFAOYSA-N
ID: 97044
SMILES:c12c(c(O)cc(CCCCC)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.706
InChIKey:MRMDEXJHAJSPKK-UHFFFAOYSA-N
ID: 97045
SMILES:C1CC2C(C)(C)Oc3cc(CCC)cc(O)c3C12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.085
InChIKey:JDKRKKXIIWBEIJ-UHFFFAOYSA-N
ID: 97046
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 97047
SMILES:CC12OC1CCC(=C)CC1c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.868
InChIKey:OXFARZIRAQXDGS-UHFFFAOYSA-N
ID: 97048
SMILES:c12c(cc(O)cc1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -18.541
InChIKey:DXDRGIVLXHOGHC-UHFFFAOYSA-N
ID: 97049
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)C(=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 97050
SMILES:C(Cc1cc(O)c(C2(O)OC(C=C(C)C)C2)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -15.768
InChIKey:ISIRRBQUOBDBFB-UHFFFAOYSA-N
ID: 97051
SMILES:C(C=C(C)CCC=C(C)C)c1c2c(cc(O)c1C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -11.782
InChIKey:BZYXNNWOSDNGFD-UHFFFAOYSA-N
ID: 97052
SMILES:C=C(C1CCC(C)c2c(OC(=O)C)cc(CCCCC)cc2O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.289
InChIKey:MYKRYIIRFNNTRN-UHFFFAOYSA-N
ID: 97053
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.27
InChIKey:PBVXSNIWCHRXCN-UHFFFAOYSA-N
ID: 97054
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 97055
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(OC(=O)C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.32
InChIKey:BWTYFOKXWNMLBZ-UHFFFAOYSA-N
ID: 97056
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 97057
SMILES:c1c(O)c(Cc2c(OC(=O)C)cc(CCCCC)cc2O)c(C=O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.655
CB1 binding score: -15.957
InChIKey:DOCGWOPORGJCCN-UHFFFAOYSA-N
ID: 97058
SMILES:OC1(C)Cc2c(O)cc(CCCCC)cc2OC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -17.203
InChIKey:UXQUQKUCJZHULY-UHFFFAOYSA-N
ID: 97059
SMILES:CNCc1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 271.404
CB1 binding score: -17.215
InChIKey:DGFGKTLMRUVTBE-UHFFFAOYSA-N
ID: 97060
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 97061
SMILES:C(=CC(=CCC=C(C)C)C)CC(C)=CCc1cc(O)cc(C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.339
InChIKey:YJIJQYKRECIVSO-UHFFFAOYSA-N
ID: 97062
SMILES:CC1=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N