ID: 89503
SMILES:CCCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 89504
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 89505
SMILES:c1c(O)ccc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.529
InChIKey:WQXFMLNUWABCFK-UHFFFAOYSA-N
ID: 89506
SMILES:C1(c2cc(CCN(C)C)ccc2O)C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.458
CB1 binding score: -17.957
InChIKey:JVTBDUWWCYUSCG-UHFFFAOYSA-N
ID: 89507
SMILES:C(CC=C(C#CC=C(C)C)C)C(C)=CCc1c(OC)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -19.191
InChIKey:BDJCTIFZKICKDS-UHFFFAOYSA-N
ID: 89508
SMILES:C12C(C)c(OC)cc(CCCCC)c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: Not available
InChIKey:XFRWRLAPKCITID-UHFFFAOYSA-N
ID: 89509
SMILES:Oc1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 89510
SMILES:c1(O)c2c(cc(CCCCC)c1)-c1c(O)cc3c(c1OC2(CCC(C)C)C)C=CC(C)(C)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -16.158
InChIKey:VWYJWMVOLJRBBZ-UHFFFAOYSA-N
ID: 89511
SMILES:O1c2c(cc(CCCCC)cc2O)OC(C)(C)C1CCC1(C)CCC=C(C)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.046
InChIKey:QXBGCYSXRBDPGI-UHFFFAOYSA-N
ID: 89512
SMILES:C(c1c(OC)c2c(cc1CO)OC1(C)CCC(C(C)=C)C1C2=O)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.553
InChIKey:SZWHIHDUGHMRJZ-UHFFFAOYSA-N
ID: 89513
SMILES:c1(O)ccc(C2C=C(C)CCC2C(=C)C)c(O)c1Cl
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.779
CB1 binding score: -14.411
InChIKey:IUSSMDPUBQLLDK-UHFFFAOYSA-N
ID: 89514
SMILES:CC1(C)C(C)C(C)C(O)C2(c3c(cc(CCCCCOS(=O)(=O)O)cc3)O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.548
CB1 binding score: -14.656
InChIKey:HALNXDMBESNVFI-UHFFFAOYSA-N
ID: 89515
SMILES:C12CCC(C3(C)C(CC=C(C)C)O3)Oc3c(c(OC(=O)C)cc(C(CCC)O)c3)C1OC(=O)C2(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.604
CB1 binding score: -14.175
InChIKey:JCOKPHGZYMPLMY-UHFFFAOYSA-N
ID: 89516
SMILES:C1(OC(=O)C)C(C)=C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.426
InChIKey:QVARSTZVKKJOAJ-UHFFFAOYSA-N
ID: 89517
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)c(C=O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 89518
SMILES:c1(O)c(Cl)c2c(cc1)C1C=C(C)C(=O)CC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.762
CB1 binding score: -17.098
InChIKey:RDNKIQQXHSNWGT-UHFFFAOYSA-N
ID: 89519
SMILES:C1C(C)=CC(=O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.397
InChIKey:REKDNZMRUYGLDP-UHFFFAOYSA-N
ID: 89520
SMILES:O(c1c(C(OC)=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CC2C(C)(C3C=C(C)CCC3C(C)(C)C2)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.769
CB1 binding score: -17.068
InChIKey:URJFBRJGGHZREX-UHFFFAOYSA-N
ID: 89521
SMILES:CCCCCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 89522
SMILES:C1CC=C(C)CCC2C(C)(C)Oc3cccc(CCCC)c3C2C1C(=O)C=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -13.091
InChIKey:RDNYZEFZKLAKDJ-UHFFFAOYSA-N
ID: 89523
SMILES:O=C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N