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Molecule Identifiers
Molecular Properties

ID: 37234

SMILES:
C(C(=O)c1c(O)cc2c3c1OC1(C)CC3C(CC1)C(C)(C)O2)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.811

InChIKey:
ACEYIASCCHMZMI-UHFFFAOYSA-N

ID: 37235

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 37236

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 37237

SMILES:
c1(O)c2c(cc(C)c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.296

InChIKey:
VDFPGOHCLBXAJM-UHFFFAOYSA-N

ID: 37238

SMILES:
c1(O)c2c(cc(CCCC)c1)OC(C)(C)C1=C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.06

InChIKey:
WQVFVTKXRBQFFH-UHFFFAOYSA-N

ID: 37239

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 37240

SMILES:
c12cc(CCCCC)cc(O)c1OC(CCC=C(C)C)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.392

InChIKey:
RCCCKQKOMSTGQP-UHFFFAOYSA-N

ID: 37241

SMILES:
C1=C(C)CCC(C(=C)C)C1c1c(O)c(OC)ccc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.502

InChIKey:
TVALGMPTUIMGQM-UHFFFAOYSA-N

ID: 37242

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1(O)C2=C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.11

InChIKey:
UTZALOHUFZZDSZ-UHFFFAOYSA-N

ID: 37243

SMILES:
C1(OC(=O)C)C(C)(C)OC(C)(C(CCC2(C)C=Cc3c(c(C)cc(O)c3)O2)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -15.661

InChIKey:
NRFIAJUCLAMZRO-UHFFFAOYSA-N

ID: 37244

SMILES:
O1C2(C)C1C1c3c(cc(CCCCC)cc3O)OC(C)(C)C1(O)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -16.783

InChIKey:
BPCZWBBQSZJIGS-UHFFFAOYSA-N

ID: 37245

SMILES:
Oc1c(CC=C(C)CCC(=O)C(=C)C)cc(O)cc1CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.835

InChIKey:
PHHOUQXSEIBOBM-UHFFFAOYSA-N

ID: 37246

SMILES:
C1CCC(C=O)=C1c1c(O)cc(CCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.159

InChIKey:
WQZOFLPWSVTKLZ-UHFFFAOYSA-N

ID: 37247

SMILES:
C1CC(=C)CC2c3c(O)cc(CCC(O)C)cc3OC(C)(CCC=C1C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.546

InChIKey:
IHCVVYUBHGRJOA-UHFFFAOYSA-N

ID: 37248

SMILES:
C(CC=C(CO)CCC=C(C)C)C(=CCc1c(O)cc(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 372.549

CB1 binding score: -16.608

InChIKey:
KNTBIJBDUUFKKL-UHFFFAOYSA-N

ID: 37249

SMILES:
C12CC(C)(O)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 37250

SMILES:
CC(C1=CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.875

InChIKey:
MABLLFKQVKWWPG-UHFFFAOYSA-N

ID: 37251

SMILES:
CC1(O)CC(O)C2(Oc3c(c(O)cc(CCCCC)c3)C2)C(C)(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -15.183

InChIKey:
GTGAGGNPDGOPMM-UHFFFAOYSA-N

ID: 37252

SMILES:
C(C(C)C1CCC(C)=CCCC(C)=CCc2c(O)cc(C)cc2O1)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -11.745

InChIKey:
YOEVTTAXHNYMLF-UHFFFAOYSA-N

ID: 37253

SMILES:
C1=C(C)CC(O)C2C(C)(C)Oc3ccc(O)cc3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.277

InChIKey:
GQGFNTIDIOATQF-UHFFFAOYSA-N

ID: 37254

SMILES:
C(C)(CCCC(C)CC)(c1c(O)c(C=O)c2c(c1O)CC1C(C(C)(C)O2)CCC(C)=C1)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -13.633

InChIKey:
QIEPPLYAHNPMHU-UHFFFAOYSA-N

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37234–37254 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