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Molecule Identifiers
Molecular Properties

ID: 118210

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 118211

SMILES:
CN(C)Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 301.43

CB1 binding score: -16.019

InChIKey:
BEDLNWPKXWDYSJ-UHFFFAOYSA-N

ID: 118212

SMILES:
C(Cc1cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 118213

SMILES:
C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C1(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.906

InChIKey:
TXDSDLCXXNDHLN-UHFFFAOYSA-N

ID: 118214

SMILES:
CC(Oc1c(OC)c2c(cc1)OC(C)(C)C1CC=C(C)CCC21)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.165

InChIKey:
NCTQWZJGBZPKBY-UHFFFAOYSA-N

ID: 118215

SMILES:
C1(C)=CCC2(CC1)c1c(cc(C)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.101

InChIKey:
APTNNMKCKFCUCT-UHFFFAOYSA-N

ID: 118216

SMILES:
C12c3c(O)cc(C)cc3OC(C)(C)C1CCC=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.195

InChIKey:
MNEAIRSCKNFLHC-UHFFFAOYSA-N

ID: 118217

SMILES:
C(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1OC)(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -19.037

InChIKey:
VAFRUJRAAHLCFZ-UHFFFAOYSA-N

ID: 118218

SMILES:
CC(=CCc1c(OC)cc(CCCCC)cc1O)C(=CC=CC(C)(O)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.801

InChIKey:
GPJIBELDBOHDEM-UHFFFAOYSA-N

ID: 118219

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.76

CB1 binding score: -15.561

InChIKey:
LLPIXXVYBPFAKN-UHFFFAOYSA-N

ID: 118220

SMILES:
C(C(CC(CCC)C)=O)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.873

InChIKey:
KPDBLHBUTLZREV-UHFFFAOYSA-N

ID: 118221

SMILES:
C12C(C)(OC(C)(C)C1(OC1OC(CO)C(O)C(O)C1O)C)Oc1cc(CCCCC)cc(O)c1C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.597

CB1 binding score: -14.414

InChIKey:
CXMKGCPENILAFA-UHFFFAOYSA-N

ID: 118222

SMILES:
CC1(C)Oc2cc(CCCCC)oc(=O)c2C2C=C(C)CCC21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.05

InChIKey:
AKJLXAMDKBIQKE-UHFFFAOYSA-N

ID: 118223

SMILES:
C12C(C=C(C(C)O)CC1)c1c(ccc(O)c1)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -14.458

InChIKey:
HPUPPLDKDBRNRZ-UHFFFAOYSA-N

ID: 118224

SMILES:
CC(CCC=C(C)C)=CC12C(C(CC(=O)c3c(O)cc(C)cc3O)C(=O)O1)C(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -16.076

InChIKey:
UYURVJSILMVSCA-UHFFFAOYSA-N

ID: 118225

SMILES:
OC1C2(C(CC(O)C)OC(C)(C)C2O)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.481

CB1 binding score: -14.007

InChIKey:
PVQYMMYCTPWXAR-UHFFFAOYSA-N

ID: 118226

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C3C(=C1)CCC(O)C(C)(C)C3CC=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -15.482

InChIKey:
HZSNZYGOZABRSE-UHFFFAOYSA-N

ID: 118227

SMILES:
C1(OC)c2ccccc2OC(C)(C)C2CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -12.662

InChIKey:
RRSANDFPSKCFHM-UHFFFAOYSA-N

ID: 118228

SMILES:
CC=C(C(C)C)C(O)=C1C2C(C(=C)C)=CCC1(C)Oc1cc(CCCCC)cc(O)c1C2CC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.7

CB1 binding score: -14.321

InChIKey:
ANHURLARQZPKRM-UHFFFAOYSA-N

ID: 118229

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 360.494

CB1 binding score: -15.239

InChIKey:
DMFGWOPLNKUPMN-UHFFFAOYSA-N

ID: 118230

SMILES:
C1C(C(C)(C)O)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

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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