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Molecule Identifiers
Molecular Properties

ID: 133183

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 133184

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)CCC1C(C)=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.028

InChIKey:
NKYYTWACWFBSMZ-UHFFFAOYSA-N

ID: 133185

SMILES:
C(CCC1(C)C(O)Cc2c(O)cc(CCC)cc2O1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.686

InChIKey:
LLPMAUMTANBRBH-UHFFFAOYSA-N

ID: 133186

SMILES:
c1(O)c(C(O)=O)c(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 133187

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)=C(C(C(C)=C)O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.723

InChIKey:
VOELQWWBUFKAKI-UHFFFAOYSA-N

ID: 133188

SMILES:
c1(-c2cc(CCCCC)cc(O)c2C2C=C(C)CC=C2C(C)C)cc(O)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.566

CB1 binding score: -13.421

InChIKey:
OELVZVMYPVGPDY-UHFFFAOYSA-N

ID: 133189

SMILES:
Oc1c(CC=C(C)C)c(O)c2c(c1)OC(C)(C)C1C(=O)C=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.358

InChIKey:
AOOBQYHHCFZIHN-UHFFFAOYSA-N

ID: 133190

SMILES:
Oc1c(C=O)c2c(c(O)c1CCCCC)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -13.217

InChIKey:
YGVGCGJLSABYAF-UHFFFAOYSA-N

ID: 133191

SMILES:
c1c(O)c2c(cc1CCC)OC1C2(C)CCC1(C(=C)C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -14.642

InChIKey:
RTDXQFNPDXYGTD-UHFFFAOYSA-N

ID: 133192

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 133193

SMILES:
C12C(=C(C)C(=O)O1)C(OC)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -13.343

InChIKey:
YMKZMUOVKDTBHE-UHFFFAOYSA-N

ID: 133194

SMILES:
C(C)(C#Cc1c(O)c(C2C(C(C)(OC)C)CCC(=C)C2Cc2c(O)cc(CCCCC)cc2O)ccc1O)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.721

CB1 binding score: -16.502

InChIKey:
VHBJGNMFQMHFGZ-UHFFFAOYSA-N

ID: 133195

SMILES:
CC1(C(=O)CCC(=CCc2c(O)c(C)cc(OC(=O)C)c2)C)OC(C=C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -16.39

InChIKey:
UGROXSFGLLIFSB-UHFFFAOYSA-N

ID: 133196

SMILES:
C(CCc1cc(O)c2c(c1CC=C(C)C)OC(C)(C)C(O)C2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.862

InChIKey:
LMSARIGFFULSLD-UHFFFAOYSA-N

ID: 133197

SMILES:
C1(C)CC2c3c(c(C)c(CCCC)cc3O)OC2c2c1c(O)c(CC=C(C)C)c(O)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -14.816

InChIKey:
UIENZHAMBPFYAJ-UHFFFAOYSA-N

ID: 133198

SMILES:
C(C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 133199

SMILES:
C12C(C)(C)C3CCC(C)=CC13c1c(cc(CCCCC)cc1OC)OC2(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.409

InChIKey:
LKJYDCVIFJFISL-UHFFFAOYSA-N

ID: 133200

SMILES:
Oc1cc(O)c2c(c1)OC1(C)CC=CC(C)(C)CCC(C)C(CC=C(C)C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -13.711

InChIKey:
LTPMMGDXSWFDKP-UHFFFAOYSA-N

ID: 133201

SMILES:
C12OC(C(C)(O)C)CCC1(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -18.084

InChIKey:
AGFSFZWFXKSNBM-UHFFFAOYSA-N

ID: 133202

SMILES:
C1CC2C(c3c(O)cc(C(C)(C)OC)c4c3C(C=C2C)O4)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.837

InChIKey:
HHLXPFFBFLBELS-UHFFFAOYSA-N

ID: 133203

SMILES:
Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.998

InChIKey:
DAOBMYOFOPZVGI-UHFFFAOYSA-N

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133183–133203 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