ID: 43576
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.27
InChIKey:PBVXSNIWCHRXCN-UHFFFAOYSA-N
ID: 43577
SMILES:O=C1c2c(coc2)C(=O)C=C1Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.462
CB1 binding score: -15.529
InChIKey:BMKYMJFYNCHALH-UHFFFAOYSA-N
ID: 43578
SMILES:O=C(C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 43579
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(C)CCC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -17.283
InChIKey:WIWRWWAGDIQIFT-UHFFFAOYSA-N
ID: 43580
SMILES:C(CC)(O)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.624
InChIKey:ZKGBPYCKTOCPLS-UHFFFAOYSA-N
ID: 43581
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)C2C1CC(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -18.142
InChIKey:SZPHYTJHUNYTBP-UHFFFAOYSA-N
ID: 43582
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 43583
SMILES:c1(CCCCC)c(OC)cc2c(c1O)C1C=C(C=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.29
InChIKey:JPZROESFBFPYBQ-UHFFFAOYSA-N
ID: 43584
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 43585
SMILES:O1c2c(cc(CCCCC)cc2O)C(O)C1C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.661
InChIKey:LZDWMMYUKZIVAN-UHFFFAOYSA-N
ID: 43586
SMILES:O=C(C)Oc1c2c(cc(CCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.842
InChIKey:YERDNYZDJIXHPC-UHFFFAOYSA-N
ID: 43587
SMILES:c1(CC=C)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.166
InChIKey:FGEQAFJXCIBXCD-UHFFFAOYSA-N
ID: 43588
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)c(C(=O)O)c2O)C(C(C)(O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -20.199
InChIKey:PHDULIYGTSDYKQ-UHFFFAOYSA-N
ID: 43589
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 43590
SMILES:C(CCCC)c1cc2c(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: 43591
SMILES:Cc1cc2c3c(c1)-c1c(c(O)cc(CCCCC)c1)C1C=C(C(=O)O)CCC31C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 416.561
CB1 binding score: -15.911
InChIKey:QJMZRVJUHYGBRC-UHFFFAOYSA-N
ID: 43592
SMILES:CC1=CC2C(c3c(cc(CCCCC)cc3O)O2)C(C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.745
InChIKey:AHCIWNZIRWXMCF-UHFFFAOYSA-N
ID: 43593
SMILES:OC(C(c1c(O)cc(C)c(O)c1)(CO)C)c1c(O)c(C=O)c(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.572
CB1 binding score: -15.405
InChIKey:FNBUDRQIYFDHMZ-UHFFFAOYSA-N
ID: 43594
SMILES:C1C2C3(CC(C)(CCC3)C1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.806
InChIKey:HTHFLGCGLNNIHJ-UHFFFAOYSA-N
ID: 43595
SMILES:C1C2C(CO)=CC1C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.286
InChIKey:QHVJADGDBLFCMG-UHFFFAOYSA-N
ID: 43596
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N