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Molecule Identifiers
Molecular Properties

ID: 111154

SMILES:
C(CCC)Cc1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.349

InChIKey:
PVWKYDHSQZSCHQ-UHFFFAOYSA-N

ID: 111155

SMILES:
c1(O)c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 111156

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.334

InChIKey:
YYEWRZDOXZOGMO-UHFFFAOYSA-N

ID: 111157

SMILES:
Cc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -18.317

InChIKey:
BLBMZPIDLRMSIY-UHFFFAOYSA-N

ID: 111158

SMILES:
Cc1c(N)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 273.376

CB1 binding score: -16.041

InChIKey:
JBCQKITWASMEPP-UHFFFAOYSA-N

ID: 111159

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(CCC3OC3(C)CCC=C([CH])C)C1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -12.957

InChIKey:
KPIUMGKHUWQUDP-UHFFFAOYSA-N

ID: 111160

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.165

InChIKey:
XOMYDTHLVZROIC-UHFFFAOYSA-N

ID: 111161

SMILES:
Oc1c(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCc2ccc(OC)cc2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -17.255

InChIKey:
YPINPZLDNYDUJE-UHFFFAOYSA-N

ID: 111162

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)c1cc(O)c(C)cc12)CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -15.229

InChIKey:
HJUXNTKNHRUAMF-UHFFFAOYSA-N

ID: 111163

SMILES:
C=C1C2Oc3c(c(O)cc(CCCCC)c3)C2CC(C)(C1O)CCC(O)C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.75

InChIKey:
FDOYHUZRRZSXOG-UHFFFAOYSA-N

ID: 111164

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1Cl

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -17.089

InChIKey:
FTQZZLWTLIYGRW-UHFFFAOYSA-N

ID: 111165

SMILES:
O1C(C)(C)C(O)c2c1c(CCCCC)cc(O)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -16.217

InChIKey:
GVJHZZUXXZOSHT-UHFFFAOYSA-N

ID: 111166

SMILES:
Oc1cc2c(cc1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.748

InChIKey:
UESOFUAUNDLWRH-UHFFFAOYSA-N

ID: 111167

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2c(O)ccc1C(C(CC)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.434

InChIKey:
KKUJXFTUTVZQHG-UHFFFAOYSA-N

ID: 111168

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.121

InChIKey:
PJBASZVNRDGSFZ-UHFFFAOYSA-N

ID: 111169

SMILES:
Oc1cc(CC=C(CC2(C)C(C(C)=C)CCC2C)C)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.049

InChIKey:
BPOUYYGVLNPSDJ-UHFFFAOYSA-N

ID: 111170

SMILES:
c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 111171

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)CC12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.867

InChIKey:
KVHGIHWABBDFMB-UHFFFAOYSA-N

ID: 111172

SMILES:
C(CC)CCCCc1cc2c(c(O)c1)C1C=C(CCC=C(C)C)C(=O)OC1CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -14.231

InChIKey:
YIRWWWZKYNIFRM-UHFFFAOYSA-N

ID: 111173

SMILES:
c1(OC)cc(CCCCC)cc2c1C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.8

InChIKey:
AXSRHWBCTGKGNW-UHFFFAOYSA-N

ID: 111174

SMILES:
C1C(C)(C)Oc2c(CC(=O)C)cc(CCCCC)c(C(OC)=O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.438

InChIKey:
GKSHRZUGTQSESG-UHFFFAOYSA-N

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Molecule Overview

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