ID: 115123
SMILES:CC(=CCCC1(C)Oc2c(C)cc(O)c(O)c2C=C1CC(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.298
InChIKey:ICOVMKZJEABKQK-UHFFFAOYSA-N
ID: 115124
SMILES:C=C(C(O)CCC(=CCc1c(O)cc(CCCCC)cc1O)C)C(=O)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.104
InChIKey:UATAJVXBUPCEAM-UHFFFAOYSA-N
ID: 115125
SMILES:CC1(C)C=CC(O)(C2C(O)c3c(O)cc(CCCCC)cc3O2)CCC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -12.847
InChIKey:UOIHZYXUJCHZLV-UHFFFAOYSA-N
ID: 115126
SMILES:CC(C)=CCCC1COc2cc(CCCCC)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -14.551
InChIKey:AWZYAWUQUPCRLE-UHFFFAOYSA-N
ID: 115127
SMILES:O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC2C1=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.015
InChIKey:KOOOVDIKXNSGTA-UHFFFAOYSA-N
ID: 115128
SMILES:C(C=C(C)C)(c1c(O)cc(CCCCCC)cc1OC(CC)=O)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.502
InChIKey:IILAWJYRKORSKF-UHFFFAOYSA-N
ID: 115129
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1C(O)C(C)(C=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.288
InChIKey:ZWIGOHHUZOMGAF-UHFFFAOYSA-N
ID: 115130
SMILES:C1(C)=CCC2C(C1)c1ccc(OC)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.781
InChIKey:BNQJIOBVNUXALY-UHFFFAOYSA-N
ID: 115131
SMILES:C1(=O)C2=C(C(=O)C(NC)=C1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 287.359
CB1 binding score: -13.798
InChIKey:YENLSSJOXFKXLH-UHFFFAOYSA-N
ID: 115132
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.439
InChIKey:XVOPFYNMQOZUKH-UHFFFAOYSA-N
ID: 115133
SMILES:c1(CCCCC)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 115134
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 115135
SMILES:c1(C)c(O)c(C=O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.473
InChIKey:PWOWJDUYRIGMKZ-UHFFFAOYSA-N
ID: 115136
SMILES:c1(O)c(C(CCCCCCCCCCC)=O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -16.109
InChIKey:BSELRQASASBMRT-UHFFFAOYSA-N
ID: 115137
SMILES:C(C)CCCCCc1cc2c(c(OC)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -12.626
InChIKey:OYRXDHFSWKUBGM-UHFFFAOYSA-N
ID: 115138
SMILES:C(=Cc1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12)CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -16.847
InChIKey:LCUKVHVUSSPPQE-UHFFFAOYSA-N
ID: 115139
SMILES:C1(O)C(C)=CCC(c2c(O)cc(CCCCC)cc2O)C(C(CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -18.478
InChIKey:RWBWFCQKMGSIQD-UHFFFAOYSA-N
ID: 115140
SMILES:c12cc(CCCCC)ccc1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 115141
SMILES:C1C(O)C2C(C)(C)Oc3cc(CCC(=O)NCCc4ccccc4)c(O)cc3C2CC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 437.58
CB1 binding score: -17.645
InChIKey:SABNHSALXDMJDN-UHFFFAOYSA-N
ID: 115142
SMILES:O1C(C)C=Cc2c(O)c(C(OC)=O)c3c(c21)OC(C)(C)C1C3C=C(C)CCC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.471
CB1 binding score: -13.053
InChIKey:HNWPEXAEOXVHAX-UHFFFAOYSA-N
ID: 115143
SMILES:C(C1=C(CC2C(O)C(C=C(C)C)C=C(C)C23Cc2c(O)c(C)cc(O)c23)C=CC(C)(C)O1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -15.101
InChIKey:CPMYNFSUSRIQBB-UHFFFAOYSA-N