ID: 37024
SMILES:C1C2C(C=C1C)c1c(O)cc(C)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -16.598
InChIKey:JVKYHOYRUXXSOQ-UHFFFAOYSA-N
ID: 37025
SMILES:c1c(CCc2cc(O)cc(O)c2)cc(O)c(CC2C3(C)CCC(C)C4(C)C3(C)C(=O)OC(CC=C(C)C)C42)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.721
CB1 binding score: -15.568
InChIKey:BEMDLICWOZBFEY-UHFFFAOYSA-N
ID: 37026
SMILES:c1(C=C)c2c(ccc1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 254.373
CB1 binding score: -15.116
InChIKey:ZPOCDPXKXBJDQK-UHFFFAOYSA-N
ID: 37027
SMILES:C1(C)C2C(OC1=O)C1c3c(cc(CCCCC)cc3O)OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.128
InChIKey:JKNBAXHMXMVLQD-UHFFFAOYSA-N
ID: 37028
SMILES:c1(CCCCC)cc(O)c(C2C=C(C)CCC2C(CCCC(C)C)(O)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.62
CB1 binding score: -16.944
InChIKey:MYGVHYRHWLQLNP-UHFFFAOYSA-N
ID: 37029
SMILES:C1C2C(C)(C)c3c(cc(CCCCC)cc3O)OC2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.071
InChIKey:HFDGRCMGHLWGAG-UHFFFAOYSA-N
ID: 37030
SMILES:C(C)(=CCCC(=CCc1c(O)cc(C(CC)O)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.47
InChIKey:OYTLZQMHMIZJEX-UHFFFAOYSA-N
ID: 37031
SMILES:C1(C)(C)C2C(CC(C)=CC2)c2c(cc(CCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 37032
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 37033
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 37034
SMILES:CC(C)=CCc1cc(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.367
CB1 binding score: -17.843
InChIKey:OBEVZLNBDCMTNW-UHFFFAOYSA-N
ID: 37035
SMILES:C1C2C(C)(C)Oc3c(ccc(C)c3)C2C(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -16.188
InChIKey:XCCYCELLJLUHIX-UHFFFAOYSA-N
ID: 37036
SMILES:C1(O)CC2C(CC1=C)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.941
InChIKey:YRXPGUPXVCGYGF-UHFFFAOYSA-N
ID: 37037
SMILES:C12(C)CC3C(C)=CC(CC1C(C)(C)O2)Oc1c(c(O)c(C(=O)O)c(CCCCC)c1)C3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -11.668
InChIKey:RYJSUBSQUSINLM-UHFFFAOYSA-N
ID: 37038
SMILES:C(C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.012
InChIKey:QOIXPVSIXKIGON-UHFFFAOYSA-N
ID: 37039
SMILES:CC1C(SCC(C)C)CCC(C)C12Oc1c(c(OC)cc(CCCCC)c1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.643
CB1 binding score: -15.174
InChIKey:KHVKAVBJAYHSLX-UHFFFAOYSA-N
ID: 37040
SMILES:c1(O)c(CCCC(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 262.393
CB1 binding score: -18.21
InChIKey:CJIYDQZJDCAFIJ-UHFFFAOYSA-N
ID: 37041
SMILES:C(CCC1C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21)(C(C)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.058
InChIKey:OYKAAFPSQRJVQN-UHFFFAOYSA-N
ID: 37042
SMILES:c1(C(=O)O)ccc(C2Oc3c(c(O)cc(CCCCC)c3)C(C(C)CCCC(C)=C)C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -13.895
InChIKey:CCTRQTZHKIAJRG-UHFFFAOYSA-N
ID: 37043
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.209
InChIKey:VPDBCGRUZCACNK-UHFFFAOYSA-N
ID: 37044
SMILES:c1(C=O)c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.149
InChIKey:SDDIKGNYBRVRTR-UHFFFAOYSA-N