ID: 85576
SMILES:Oc1c2c(cc(CCCCC)c1)C(=O)C(O)C(C)(CC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.14
InChIKey:IWXZSOLOTVDMDP-UHFFFAOYSA-N
ID: 85577
SMILES:C1(C)(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: 85578
SMILES:C(=O)CCc1cc2c(c(O)c1)C1C(C(CO)(C)O2)CCC(C)(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.411
CB1 binding score: -17.456
InChIKey:ZGCVQDKMORYQBJ-UHFFFAOYSA-N
ID: 85579
SMILES:C12CCC(C(O)=O)=CC1c1c(O)cc(CCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.036
InChIKey:BTTRWQMCLAXICU-UHFFFAOYSA-N
ID: 85580
SMILES:C(O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(CCC1)C(O)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.52
InChIKey:UPXFZSFABMJDJG-UHFFFAOYSA-N
ID: 85581
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 85582
SMILES:C(CC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)=CC(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -17.072
InChIKey:YAWMQNMHJJPAGB-UHFFFAOYSA-N
ID: 85583
SMILES:C1(=C)CC2C(C(OC)=O)(C)CCC(C(C)=C)C2c2c(O)cc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -12.783
InChIKey:HHMVEFJURQVCOK-UHFFFAOYSA-N
ID: 85584
SMILES:C(C)CCCc1c(C)c(O)c2c(c1O)OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -13.883
InChIKey:DDVQFBVINFRALZ-UHFFFAOYSA-N
ID: 85585
SMILES:O1c2cc(CCCCC)cc(OC)c2C2C3C(COCC)(O)CC1(C)C3C2C(=O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -19.755
InChIKey:NVHGEBSNGBUQRE-UHFFFAOYSA-N
ID: 85586
SMILES:C(CCCC1Oc2c(c(O)cc(CCCCC)c2)C2CCC(CO)=CCC12C)CCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.792
CB1 binding score: -12.209
InChIKey:RJUKFKAGTLNERL-UHFFFAOYSA-N
ID: 85587
SMILES:CC1C2(O)C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.733
InChIKey:GGVKYVCDZSUKNG-UHFFFAOYSA-N
ID: 85588
SMILES:c1(OC)c(CCc2cc(O)c(C3CC(CO)=CC(CC(C)=C)C3C=C(C)C(OCCC)=O)c(OC)c2)cc(O)c(O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.717
CB1 binding score: -15.467
InChIKey:VFKFNSYHGXTLPT-UHFFFAOYSA-N
ID: 85589
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 85590
SMILES:C(NCC)(CC)c1cc(OC)c(C2C(C(C)=C)CC(=O)C(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 357.494
CB1 binding score: -16.132
InChIKey:YSJCKIWJIDLBTC-UHFFFAOYSA-N
ID: 85591
SMILES:C1=C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.484
InChIKey:SFQCHTBSAMCNBB-UHFFFAOYSA-N
ID: 85592
SMILES:CC1(C)C2CCC(C(=O)O)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 85593
SMILES:C1(C)CC2C(C(O)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.876
InChIKey:LVNFKVCNQYPBTD-UHFFFAOYSA-N
ID: 85594
SMILES:CC12Oc3c(c(O)cc(CCC)c3)C(O)C1C(C(C)C)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.295
InChIKey:IVEBXSCZUDGUPI-UHFFFAOYSA-N
ID: 85595
SMILES:O=c1ccc2c(cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -16.741
InChIKey:ZINSMGAKWRXFHB-UHFFFAOYSA-N
ID: 85596
SMILES:c1(C)c(CCCCC)c2c(cc1O)OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -12.111
InChIKey:JSORCWFCYJDCCE-UHFFFAOYSA-N