ID: 117811
SMILES:CC1(C)C2=CC(=O)C(C)CC2c2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -13.031
InChIKey:JXKAXJUMDHBSOK-UHFFFAOYSA-N
ID: 117812
SMILES:Oc1cc(CCCCC)cc2c1C1C=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: 117813
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)c(OC)c1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.975
InChIKey:QENGDQLFFGIXRS-UHFFFAOYSA-N
ID: 117814
SMILES:C1(C)=CC(c2c(O)cc(C)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 117815
SMILES:c1c(C(=O)OCC)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -12.458
InChIKey:RYSXPLLVPMPVEV-UHFFFAOYSA-N
ID: 117816
SMILES:O(c1cc2c(cc1CCCCC)OC(C)(C)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -18.487
InChIKey:NGAUBFJBNMVAJB-UHFFFAOYSA-N
ID: 117817
SMILES:C(=C(C1CCC(C)=CC1c1c(O)cc(CO)c(C(c2cccc(O)c2)=O)c1C)C)C1C(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.614
CB1 binding score: -14.605
InChIKey:AAEYRMWPGJNVNK-UHFFFAOYSA-N
ID: 117818
SMILES:CC1(C)C2=C(C(=O)C(C)=CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.083
InChIKey:AYMRREFEEFYHLH-UHFFFAOYSA-N
ID: 117819
SMILES:C1(C)C(OC(=O)C)C(=O)c2c(O)cc(CCCCCCCCCC)cc2OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -10.108
InChIKey:GROCLEBYCJFMEW-UHFFFAOYSA-N
ID: 117820
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.949
InChIKey:FZEZRVFOAQSQNI-UHFFFAOYSA-N
ID: 117821
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 117822
SMILES:O=C(c1c(O)c(C2C=C(C)CCC2C(C)C)c(O)cc1CCCCC)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.276
InChIKey:NGHGOJRQIYPXBS-UHFFFAOYSA-N
ID: 117823
SMILES:C(CCCC)c1cc(O)c(CC2=C(O)C(CC=C(CCC=C(C)C)C)=CC(O)=C2CC=C(C)C)c(O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.726
CB1 binding score: -13.974
InChIKey:KJYOVQWBQFBALQ-UHFFFAOYSA-N
ID: 117824
SMILES:C1C2(C)Oc3cc(CCCCC)cc(OC)c3C2C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.502
InChIKey:BULKUGMRFPGLMT-UHFFFAOYSA-N
ID: 117825
SMILES:c1(OC)c(C2C=C(C)C(O)CC2C(C)(C)O)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -17.025
InChIKey:VQIUWWKDLKOFKB-UHFFFAOYSA-N
ID: 117826
SMILES:c1(O)c(C(O)=O)c(O)c(C(=O)C(=C)C)c(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.417
CB1 binding score: -16.097
InChIKey:OABKBSKPWSXMIH-UHFFFAOYSA-N
ID: 117827
SMILES:Oc1cc(O)cc(CCc2cc(O)cc(O)c2C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.484
CB1 binding score: -14.254
InChIKey:DPZQMRAPCQVKEJ-UHFFFAOYSA-N
ID: 117828
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(O)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.502
InChIKey:KQXVXPOCFZRDAA-UHFFFAOYSA-N
ID: 117829
SMILES:C(C=C(C)C)CC1(C)Oc2c(c(O)c(C(=O)OC)c(CCCCC)c2)C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -16.27
InChIKey:RTGJYZRMNFMNKG-UHFFFAOYSA-N
ID: 117830
SMILES:Oc1c(O)c(C2C(C(C)=CCC=C(C)C)CCC(CO)=C2)c(O)cc1CCC(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: Not available
InChIKey:KTCZVUAIXMNWNB-UHFFFAOYSA-N
ID: 117831
SMILES:c1(Cc2ccc(OC)cc2)cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.484
CB1 binding score: -15.214
InChIKey:YCVGFOYMXLWBBI-UHFFFAOYSA-N