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Molecule Identifiers
Molecular Properties

ID: 75181

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.563

InChIKey:
CODIXLGYYWMJFS-UHFFFAOYSA-N

ID: 75182

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 75183

SMILES:
C(=CCCC1(C)Oc2c3c(cc(O)c(C4C(C(C)=C)CCC(C)=C4)cc3O)cc2C(O)C1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.667

CB1 binding score: -15.889

InChIKey:
YBFZALNXBGORED-UHFFFAOYSA-N

ID: 75184

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)c(CNC(CCCCC(OC)=O)=O)c(C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 429.557

CB1 binding score: -14.449

InChIKey:
TWZFZTKXVHFHLR-UHFFFAOYSA-N

ID: 75185

SMILES:
C1(C)=CC2C(CC1O)C(C)(C)Oc1c2c(OC)c(OC)c(C)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -14.095

InChIKey:
XVXWIGCRWMUDLU-UHFFFAOYSA-N

ID: 75186

SMILES:
C(=C(C)Cc1c(O)c(CC=C(C)C)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -11.796

InChIKey:
DTGAQRRAJYHKAX-UHFFFAOYSA-N

ID: 75187

SMILES:
OC(=O)CCCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.414

InChIKey:
SHCDJZUCHADQDQ-UHFFFAOYSA-N

ID: 75188

SMILES:
CCCCCCCc1cc2c(c(O)c1)C1C=C(C)C(O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.619

InChIKey:
FXPYGNNPTAYUHB-UHFFFAOYSA-N

ID: 75189

SMILES:
CC(OOc1c2c(cc(CCCCC)c1C(=O)OC)OC(C)(C)C1CCC(C)=CC21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -18.651

InChIKey:
JFJAYVWQHOWWED-UHFFFAOYSA-N

ID: 75190

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Merosesquiterpenoids

MW: 386.532

CB1 binding score: -18.163

InChIKey:
XVAIKLDHTLGKNJ-UHFFFAOYSA-N

ID: 75191

SMILES:
c1(O)cc(CCC)cc(OC(=O)C)c1CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -16.587

InChIKey:
NMRRKSNMXODIAP-UHFFFAOYSA-N

ID: 75192

SMILES:
CC1=CC2C(C1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -16.598

InChIKey:
JVKYHOYRUXXSOQ-UHFFFAOYSA-N

ID: 75193

SMILES:
CC(=C)C1CC=C(C)CC1c1c(O)cc(C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.334

InChIKey:
OCTQIDRSDSFRBW-UHFFFAOYSA-N

ID: 75194

SMILES:
OC(CC(C)CCCC(C)(O)C)c1c2c(ccc1O)OC(C)(C)C1C2(C=O)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -16.015

InChIKey:
OWHBCNXWIBDVFM-UHFFFAOYSA-N

ID: 75195

SMILES:
OCC=Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.264

InChIKey:
LTOTURCVANTSBG-UHFFFAOYSA-N

ID: 75196

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 75197

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)C(O2)CCC1(OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -14.079

InChIKey:
JRYTYGJPSVJLOM-UHFFFAOYSA-N

ID: 75198

SMILES:
C1=C(C)CCC(C(C)C)C1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 75199

SMILES:
C1(C(C)=C)CC=C(C)CC1OOC1CCC(C)=CC1c1c(O)c(C(O)=O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.633

CB1 binding score: -11.606

InChIKey:
RRUINQWRMWBVFR-UHFFFAOYSA-N

ID: 75200

SMILES:
OC(c1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(CO)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -17.1

InChIKey:
JMVPLJZADVRRQD-UHFFFAOYSA-N

ID: 75201

SMILES:
CC1(C)Oc2c(c(O)c(C(=O)C(C)CC)c(O)c2)C2C1CC(CO)C(=O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -15.869

InChIKey:
OACVUCDKWGRWHL-UHFFFAOYSA-N

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75181–75201 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