ID: 73354
SMILES:C(CCCCCCC)c1cc(OC)c2c(c1)OC(C)(C)C1=C2C(OC)C(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.231
InChIKey:LYGQULUZDQHRMX-UHFFFAOYSA-N
ID: 73355
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)C(CC=C(C)C)(O)C(=O)C(C(=O)C(CC)C)=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 498.66
CB1 binding score: -16.117
InChIKey:KZPCGFMEASSXPZ-UHFFFAOYSA-N
ID: 73356
SMILES:CCCCCCc1cc(OC)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.056
InChIKey:VYOOXLYVKNLAFA-UHFFFAOYSA-N
ID: 73357
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)(CCC1(OC)C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.599
InChIKey:JZQIGARNGDFHHZ-UHFFFAOYSA-N
ID: 73358
SMILES:C(CC)Cc1ccc2c(c1O)C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.268
InChIKey:YFYZBRKXUHYZAP-UHFFFAOYSA-N
ID: 73359
SMILES:c12cc(CCCCC)cc(O)c1OC1C(=CC)C=CC3C1=C(C)C=CC2=CC1C3CC2OC2(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.734
CB1 binding score: -16.807
InChIKey:BTDDLIDDRVQWSS-UHFFFAOYSA-N
ID: 73360
SMILES:c12c(cccc1)OC(C)(C)C1CCC(=C)C(O)CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.12
InChIKey:RZQDBAGFBSYXIY-UHFFFAOYSA-N
ID: 73361
SMILES:Oc1c(C(=O)CC(C)C)c2c(c(C(CC(C)C)=O)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 428.569
CB1 binding score: -15.599
InChIKey:WDIRQYCJPXXOTH-UHFFFAOYSA-N
ID: 73362
SMILES:O=C(OC1(c2c(OC(C)=O)cc(CCCCC)cc2O)C(C(C)C)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -12.159
InChIKey:MAGWMUQSVOEVJT-UHFFFAOYSA-N
ID: 73363
SMILES:C(C=C(C)CCC=C(C)C)CC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 73364
SMILES:C1C(=O)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.502
InChIKey:BSLROHBUOQDLDH-UHFFFAOYSA-N
ID: 73365
SMILES:C12c3c(O)cc(CCCCC)cc3OC1(C(C)C)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.928
InChIKey:SMTJUGXKTVNGCI-UHFFFAOYSA-N
ID: 73366
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 73367
SMILES:OC1C(CO)=CC2OC23C(C)(C)Oc2cc(CCCCC)cc(O)c2C3C2OC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.177
InChIKey:OQMXRMCQKXJMHT-UHFFFAOYSA-N
ID: 73368
SMILES:C1(NC)CC(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 325.54
CB1 binding score: -16.527
InChIKey:DLNBUWJKYOPZEI-UHFFFAOYSA-N
ID: 73369
SMILES:C12=CCCC(C)C1(C)C(OC)Oc1cc(CCCCC)cc(OC)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.797
InChIKey:SMVYUYUHSDUMQU-UHFFFAOYSA-N
ID: 73370
SMILES:C(C=C(C)C)CC(C)=CC1OC2(CC(C)=CC1c1c(O)cc(O)cc1C)OC(C)(C)C(=O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -16.703
InChIKey:JJYSZTNYMKEDCQ-UHFFFAOYSA-N
ID: 73371
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 73372
SMILES:c1(CCC(=O)O)cc2c(c(O)c1C(CCC=C(C)C)(C)C=C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -16.438
InChIKey:CEBNSBNXMQPYKH-UHFFFAOYSA-N
ID: 73373
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1(O)C1(C)C(O)(C=C2)C(C(O)=O)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -15.621
InChIKey:DDLQIQKFPFMWPT-UHFFFAOYSA-N
ID: 73374
SMILES:COC=C(C=Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -14.178
InChIKey:SYJBVULCKUQCTC-UHFFFAOYSA-N