ID: 59074
SMILES:COC(C1(C)C(CC=C(C)C)CCC1c1ccc(CCCCC)cc1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -13.828
InChIKey:PTFFVPNCADWUNW-UHFFFAOYSA-N
ID: 59075
SMILES:C12C(C)(CCCC1(C)COC(=O)C(C)C)c1c(cc(CCCCCO)cc1O)OC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -15.446
InChIKey:KMCDGSLAYLJFRP-UHFFFAOYSA-N
ID: 59076
SMILES:C1C2(c3c(cc(CCCCCO)cc3O)O1)C(C)C(O)(C)C1(CC(C)C(C)(C)O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -13.954
InChIKey:AGELWLJVXBBTSN-UHFFFAOYSA-N
ID: 59077
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 59078
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 59079
SMILES:O1C(C)(C)C2C(C=C(C)CC2)c2c1cccc2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 59080
SMILES:c12c(cc(O)cc1C)OC(C)(C)C1COC(=O)C21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.278
CB1 binding score: -16.443
InChIKey:XLAZJRPHNQQARV-UHFFFAOYSA-N
ID: 59081
SMILES:C1CC2(C(C)(C)Oc3c(c(O)cc(CCCCC)c3O)C2)C=C1C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.432
InChIKey:GQNSANCFBUILBX-UHFFFAOYSA-N
ID: 59082
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 59083
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 59084
SMILES:O=C(c1c(O)c2c(cc1CCCCC)OC(C)(C)c1c-2cc(O)c(C)c1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -13.642
InChIKey:JJYOWTLCTFRULN-UHFFFAOYSA-N
ID: 59085
SMILES:C(CC1=C2OC(C)(C)C3C2C2(C(=O)OC(C)(C)C2CC1)CC3)=CC(C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -12.57
InChIKey:OIQVPXMQTBPPDX-UHFFFAOYSA-N
ID: 59086
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C(=O)C(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.687
InChIKey:GXVDYEDWOQVSAM-UHFFFAOYSA-N
ID: 59087
SMILES:OC(C1CCC(C)=CC1c1c(O)cc(CC)cc1O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -17.272
InChIKey:IBBUPAJATJVVHX-UHFFFAOYSA-N
ID: 59088
SMILES:c1c(CCCCCC)cc(C(O)CCCOC(=O)CC2CCCC2)c(O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.536
CB1 binding score: -15.78
InChIKey:SILYZOGUDOQZHF-UHFFFAOYSA-N
ID: 59089
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 59090
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 59091
SMILES:C1(C)C(C)(OC)CC2C(C1)C(C)(C)Oc1cc(CCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.44
InChIKey:QPZFXXQNFZQWCM-UHFFFAOYSA-N
ID: 59092
SMILES:Oc1cc(CCCCC)cc(O)c1C1OC(=O)C(CCC=C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 59093
SMILES:CC(C)=CCCC(=CCc1cc(CCCSC)cc(O)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.525
CB1 binding score: -15.135
InChIKey:KYSZRNXNMHKQGY-UHFFFAOYSA-N
ID: 59094
SMILES:O=C1C2(c3c(cc(CCCCC)c(O)c3)OC(C)(C)C3CC(C(C)(O)C)CCC(C)(O3)C2)Oc2c1cccc2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.709
CB1 binding score: -17.726
InChIKey:GJDWNKCGRONYRL-UHFFFAOYSA-N