ID: 124993
SMILES:C(CC)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.499
InChIKey:CDCJUBPCFJBDNF-UHFFFAOYSA-N
ID: 124994
SMILES:C=C(C)C1CCC(C)(O)C2Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 124995
SMILES:C1(C)(O)CCC2C1c1c(O)cc(C)cc1OC(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 276.376
CB1 binding score: -15.728
InChIKey:HDZRZYYSEORAKU-UHFFFAOYSA-N
ID: 124996
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C1(C)C(CC2)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -17.756
InChIKey:CUAMGVRWAUHKAL-UHFFFAOYSA-N
ID: 124997
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(C)[CH]C(O)C1C(C)(O)CC2)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 371.541
CB1 binding score: -15.927
InChIKey:AJKHPKFBMJVYJQ-UHFFFAOYSA-N
ID: 124998
SMILES:C1(C)=CC(c2cc(CCC(=O)O)ccc2O)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.596
InChIKey:XMEKZWSHAHWCBY-UHFFFAOYSA-N
ID: 124999
SMILES:c1(O)c(C)cc(O)cc1CC=C(CC1=CC(C)(C)CCC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.526
InChIKey:WBVCQVLLEBUUSR-UHFFFAOYSA-N
ID: 125000
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)C=C12)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -12.749
InChIKey:BHCNDCFQFLBHCB-UHFFFAOYSA-N
ID: 125001
SMILES:C1Oc2cc(C)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.307
CB1 binding score: -16.618
InChIKey:VITVJYAOVFZDBW-UHFFFAOYSA-N
ID: 125002
SMILES:C1C(C(C(=O)O)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.489
InChIKey:NMQGDLPKXGOVLU-UHFFFAOYSA-N
ID: 125003
SMILES:C1C(C(O)(C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.987
InChIKey:CYWNGHQPFIJSAD-UHFFFAOYSA-N
ID: 125004
SMILES:C1(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 125005
SMILES:C(CCO)(c1cc2c(c(O)c1)C1C=CC(C)(CCC=C(C)C)Oc3c1c(cc(CCCCC)c3)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.749
CB1 binding score: -12.141
InChIKey:HSUPGNSVWQJQLV-UHFFFAOYSA-N
ID: 125006
SMILES:c12c(cc(CCCC)cc1O)OC1(C)C(C(C(C)=C)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.95
InChIKey:ADTMQTZZSUWJTR-UHFFFAOYSA-N
ID: 125007
SMILES:Clc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.807
CB1 binding score: -18.449
InChIKey:VCQIAAHSAFHVMY-UHFFFAOYSA-N
ID: 125008
SMILES:C(C)(CCC=C(C)C)=CCc1c(O)c(OC2OC(CO)C(O)C(O)C2O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.625
CB1 binding score: -15.987
InChIKey:LJHKIPAPJLLETD-UHFFFAOYSA-N
ID: 125009
SMILES:CC(C)(O)C(=O)CCC(C)=CCCC1(C)C=Cc2c(c(O)cc(CCC)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -11.27
InChIKey:UTRMOUXDTOYBRY-UHFFFAOYSA-N
ID: 125010
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: 125011
SMILES:Oc1c(C(C)C)c(O)c(O)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.941
InChIKey:GYLKRLTXMGPJGH-UHFFFAOYSA-N
ID: 125012
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCC(CC)O)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.052
InChIKey:SINHGNNUQMHGFJ-UHFFFAOYSA-N
ID: 125013
SMILES:c1(CCCCC)cc2c(c(O)c1)C1(OC)C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.633
InChIKey:XUZZSGDAPWJBJO-UHFFFAOYSA-N