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Molecule Identifiers
Molecular Properties

ID: 128059

SMILES:
c1c(O)cc(OC)c(OC)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.929

InChIKey:
QGSZCFIKGCKVMO-UHFFFAOYSA-N

ID: 128060

SMILES:
C(CCCC)c1cc(O)c(C2C=C(CO)CCC2C(C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.425

InChIKey:
CUBYMHKAHNSHAM-UHFFFAOYSA-N

ID: 128061

SMILES:
CC(C1Oc2cc(CCCCC)cc(OC)c2C2C1CCC(C)=C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.505

InChIKey:
DCAKNTJKULWGQZ-UHFFFAOYSA-N

ID: 128062

SMILES:
O1c2c3c(c(CCCCC)cc2O)OC(O)(C(C)=C)CC13C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -12.372

InChIKey:
UTWQYYHSBWOYNH-UHFFFAOYSA-N

ID: 128063

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 128064

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 128065

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)CCC1=C(C)CC1C2C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -12.016

InChIKey:
FWNNQEMLTALLBB-UHFFFAOYSA-N

ID: 128066

SMILES:
C1C=C(CO)CCC2C(C)(C)Oc3cc(C)c(CCCCC)cc3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -13.736

InChIKey:
LYWLANQSTLPZLO-UHFFFAOYSA-N

ID: 128067

SMILES:
Cc1cc(C(C(CCCC)C)O)c(O)c(CC=C(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -16.052

InChIKey:
BIISLQWDOABGSN-UHFFFAOYSA-N

ID: 128068

SMILES:
C12COC(C)(C(OC(=O)C)CC(C(C)=C)Cc3c(O)cc(CCCCC)cc3O1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -14.463

InChIKey:
UFTAMXYEPSETOI-UHFFFAOYSA-N

ID: 128069

SMILES:
C12c3c(O)cc(C)cc3OC(CCC1C(=C)C)C(=O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -14.54

InChIKey:
APVSEFMTQKOBQS-UHFFFAOYSA-N

ID: 128070

SMILES:
CC1CC2(O)C(C)(CC1)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.98

InChIKey:
UAGKQFLIEXJPEH-UHFFFAOYSA-N

ID: 128071

SMILES:
C1(COC)CC(=O)C(C(C)C)C1c1c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -16.502

InChIKey:
VJIOYRREQQNCDX-UHFFFAOYSA-N

ID: 128072

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128073

SMILES:
c1(O)ccc(C2C=C(C)CCC2C(=C)C)c(CC=C(C)CCC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -16.74

InChIKey:
SBMOTRIUPCYMQY-UHFFFAOYSA-N

ID: 128074

SMILES:
C1(C(C)=CC2C=C(C)C(=O)O2)CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -13.141

InChIKey:
YGFUGJZBKGYGOP-UHFFFAOYSA-N

ID: 128075

SMILES:
C1(c2c(O)cc(CCCCC)cc2OC)C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 128076

SMILES:
C(O)(c1cc(O)c2c(c1)OC(C)(C)C1CCC(COC)C21)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.984

InChIKey:
OHBFTKPGZMHFLM-UHFFFAOYSA-N

ID: 128077

SMILES:
C(c1c(O)c(C=O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -13.893

InChIKey:
RBVIUQXZGPROAB-UHFFFAOYSA-N

ID: 128078

SMILES:
c12cc(CCCCC)cc(OC)c1OC1C2C(C)(C)CCCC1=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.881

InChIKey:
DYZZSZRKSSASSU-UHFFFAOYSA-N

ID: 128079

SMILES:
C12C(OC(C(C)=CC)CC=C(C)CO)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.678

CB1 binding score: -15.396

InChIKey:
SWMOZMFLYDESHF-UHFFFAOYSA-N

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128059–128079 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties