ID: 35008
SMILES:c12c(O)cc(CCCCC)cc1OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 35009
SMILES:C1=C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.484
InChIKey:SFQCHTBSAMCNBB-UHFFFAOYSA-N
ID: 35010
SMILES:c1c2c(c(OC(=O)C)cc1O)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -13.521
InChIKey:MDLQUCNOUAMNAY-UHFFFAOYSA-N
ID: 35011
SMILES:CC(C(C(c1c2c(cc(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)O)OC(=O)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -14.605
InChIKey:OXQNNNCJKILKPN-UHFFFAOYSA-N
ID: 35012
SMILES:C1(C)C2=C(C(C)(C)Oc3c2c(O)cc(CCC)c3)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.06
InChIKey:NEGPFTXJSHXXIZ-UHFFFAOYSA-N
ID: 35013
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=CC3C(C)(O3)C2C1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.429
InChIKey:OGOGEESLSAIEAE-UHFFFAOYSA-N
ID: 35014
SMILES:CCCCCc1cc(O)c(C2CC(C)=CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 35015
SMILES:c1(CCCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:QPUHYZGLKQWEKI-UHFFFAOYSA-N
ID: 35016
SMILES:CCCCCc1cc(O)c(C=O)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.502
InChIKey:PCTGPULPVPCFLK-UHFFFAOYSA-N
ID: 35017
SMILES:C=C1C(C)(C)C2C3(c4c(cc(CCC)cc4O)OC3(C)CC2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.358
InChIKey:RFQBZUBPHIJILK-UHFFFAOYSA-N
ID: 35018
SMILES:CC(c1c(O)cc2c(c1)C1C=C(CO)CCC1C(C)(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 302.414
CB1 binding score: -16.9
InChIKey:LKKQHWNCXPWMAX-UHFFFAOYSA-N
ID: 35019
SMILES:CC1CCC(O)(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -17.334
InChIKey:TZZQOYLINDKOFW-UHFFFAOYSA-N
ID: 35020
SMILES:CC(C)C(=O)c1c(O)c(C=O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.445
InChIKey:JSPFAESXEAXJNK-UHFFFAOYSA-N
ID: 35021
SMILES:CCCCCCc1cc(O)cc2c1C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.92
InChIKey:NFASUUQJYHVJFT-UHFFFAOYSA-N
ID: 35022
SMILES:O(c1cc(CCCCC)cc2c1-c1c(O)c(C=O)c(O)c(C=O)c1OC1(C)OCC(CCC=C(C)C)=CC1C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.676
CB1 binding score: -14.436
InChIKey:XUNQCAUYTZLFFQ-UHFFFAOYSA-N
ID: 35023
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1CC(=C)CCC1C(C)(CO)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.907
InChIKey:ZOCZWRIXCCWFKD-UHFFFAOYSA-N
ID: 35024
SMILES:C1CC(C)(CCC=C(C)C)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.675
InChIKey:CPQVADXIMTXGRO-UHFFFAOYSA-N
ID: 35025
SMILES:CC(C1C2c3c(O)cc(CCCCC)c(C(=O)O)c3OC1C(C)(O)CC2)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -15.767
InChIKey:SOZBFQRCOFJASW-UHFFFAOYSA-N
ID: 35026
SMILES:c1(O)c(C(C(C)CC)=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.563
InChIKey:KFHWFLUEGBMEIL-UHFFFAOYSA-N
ID: 35027
SMILES:C1C(=C)CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.978
InChIKey:ZCVYXVHFOBOOMS-UHFFFAOYSA-N
ID: 35028
SMILES:C(CCC=C(C)C)(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N