ID: 44122
SMILES:c1(CCCC(C)=CC(OC(C)=O)CC(=CCc2c(O)ccc(O)c2)C)cc(C=O)c(O)c(O)c1-c1cc2c(cc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 708.892
CB1 binding score: -14.675
InChIKey:XMDFCDCWEJRFRM-UHFFFAOYSA-N
ID: 44123
SMILES:C1=CC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 44124
SMILES:OC(c1cc2c(c(CCCCC)c1)OC(C)(C)C1CCC(O)(C)C21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.605
InChIKey:WACGSMALFLZYEU-UHFFFAOYSA-N
ID: 44125
SMILES:C1(C(O)(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(COC(=O)C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.519
CB1 binding score: -15.929
InChIKey:PYRSYGILAJTMLK-UHFFFAOYSA-N
ID: 44126
SMILES:C1(=C(C)C)CCC(C)=CC1c1ccc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.887
InChIKey:BTJQTGCWAMGCJY-UHFFFAOYSA-N
ID: 44127
SMILES:CC1(C)C2CC(O)C3(C)Oc4c(c(O)cc(CCCCC)c4)C3C2C(=O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.751
InChIKey:QSOIVAWYVHGTOG-UHFFFAOYSA-N
ID: 44128
SMILES:CC1=CC2C(C(C)(C)Oc3cc(O)c(C(=O)C(CC)C)c(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.563
InChIKey:KFHWFLUEGBMEIL-UHFFFAOYSA-N
ID: 44129
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(O)C=C(C)C1)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.116
InChIKey:ACHWGIKKXXTHCR-UHFFFAOYSA-N
ID: 44130
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 44131
SMILES:c1(CCCCC(C=C(CCCCCCCCCCC)C)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.858
CB1 binding score: -15.658
InChIKey:IGIZSPBAYMVAOP-UHFFFAOYSA-N
ID: 44132
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 44133
SMILES:C(C(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C)CC=C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -18.228
InChIKey:SAWNNGMERXUILP-UHFFFAOYSA-N
ID: 44134
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 44135
SMILES:C1(CC23C(C)CC(=O)C(C(C)C)C2O3)Oc2c(c(OC)cc(CCCCC)c2)C(OC(=O)c2ccccc2)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.72
CB1 binding score: -16.933
InChIKey:HEZPABMHKXYICA-UHFFFAOYSA-N
ID: 44136
SMILES:CCCCCc1cc2c(c(OC)c1)C1C(=CC(C)(C)O1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.254
InChIKey:PJBISYHNGWDTII-UHFFFAOYSA-N
ID: 44137
SMILES:C1(C)C2(C)Oc3c(c(OC)cc(CCC)c3)C(C1O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.339
InChIKey:OPOXFIBYRTUTER-UHFFFAOYSA-N
ID: 44138
SMILES:CC(CC1c2c(O)c3c(cc2C)OC(C)(C)C(CCC1C)C3)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.36
InChIKey:JWODDVUPFQHVSZ-UHFFFAOYSA-N
ID: 44139
SMILES:C1(C)=CC2C(CC1=O)C(C)(C)Oc1cc(CCCCC)c(C#CC(C)=C)c1c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.54
CB1 binding score: -14.109
InChIKey:DHYCJCWNJDGVTE-UHFFFAOYSA-N
ID: 44140
SMILES:C12C=C(C)C(O)CC1C(C)(C)Oc1c2c(OC)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -18.845
InChIKey:NTZRDMBPZXEKDU-UHFFFAOYSA-N
ID: 44141
SMILES:C1(=C)CCC(C(C)=C)C(c2c(O)cc(CCCCC)cc2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.335
InChIKey:JWCPOTFPTZKEJL-UHFFFAOYSA-N
ID: 44142
SMILES:C(CCCc1cc2c(c(O)c1)C1C3C(CCC(C)=C2)C(C)(C)OC3C=C(C)C1)C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.637
CB1 binding score: -12.258
InChIKey:DEHWNLBUKZZIIA-UHFFFAOYSA-N