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Molecule Identifiers
Molecular Properties

ID: 35155

SMILES:
CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 35156

SMILES:
C1CC(C)=CC2C1C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 35157

SMILES:
CC(C)=CC(C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.103

InChIKey:
AVVDRCOQFBMVMB-UHFFFAOYSA-N

ID: 35158

SMILES:
C12=C(C(=O)C(C)=CC1O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.512

InChIKey:
YOGRPGCCZTXBKO-UHFFFAOYSA-N

ID: 35159

SMILES:
C(c1c(C(=O)C(CC)C)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -9.802

InChIKey:
MHAXRAHCWXKZTI-UHFFFAOYSA-N

ID: 35160

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C(OC)=O)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -18.703

InChIKey:
ODGYRHKHFGCIRR-UHFFFAOYSA-N

ID: 35161

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.813

InChIKey:
MKGMNBMWKUOMOG-UHFFFAOYSA-N

ID: 35162

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 35163

SMILES:
C(O)c1c2c(cc(CO)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: Not available

InChIKey:
OXGCGQIMZIXSEG-UHFFFAOYSA-N

ID: 35164

SMILES:
C(c1cc(O)c(CC=C(C(O)CC=C(C)C)C)c(O)c1)CC(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.314

InChIKey:
FNOQAKPIHUOHKN-UHFFFAOYSA-N

ID: 35165

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 35166

SMILES:
CC1(C)C2C(c3c(O)cc(CCCC)cc3O1)C(=O)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.352

InChIKey:
PHHCLGWGSINBOY-UHFFFAOYSA-N

ID: 35167

SMILES:
O=C(C)OC1CC(C(C)=C)C2c3c(O)cc(CCCCC)cc3OC2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -13.101

InChIKey:
LLKUDBFGHHTYCL-UHFFFAOYSA-N

ID: 35168

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)C)CCC(C)(O2)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.261

InChIKey:
WFEKWKJJKWMERA-UHFFFAOYSA-N

ID: 35169

SMILES:
C1C(=O)C2C(C)(C)Oc3cc(OC)cc(CCCCC)c3C2C=C1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.618

InChIKey:
CHDRQWVLMWSQJU-UHFFFAOYSA-N

ID: 35170

SMILES:
CC(=CCCC(C)=CCc1c(O)c2c(cc1O)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -16.254

InChIKey:
XGGDUIGJWBZGBD-UHFFFAOYSA-N

ID: 35171

SMILES:
C(C1(CO)C(C)(C)C(C)=CC1)CC(C)=CCc1c(O)c(C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.124

InChIKey:
NDYCXYHHZHGFBT-UHFFFAOYSA-N

ID: 35172

SMILES:
c12c(c(O)ccc1O)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.145

InChIKey:
YJSPCCRFFZMYHY-UHFFFAOYSA-N

ID: 35173

SMILES:
Oc1c(CCCCC)cc(O)c2c1OC(C)(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -16.308

InChIKey:
AKJVPKKOMNLXKL-UHFFFAOYSA-N

ID: 35174

SMILES:
c12c(cc(CCCCC)cc1)OC(C)(C)C1CC=C(C(=O)OC)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.502

InChIKey:
ALRBHTFNNMEPDV-UHFFFAOYSA-N

ID: 35175

SMILES:
C12C(C)CCC13C(C)(C)Oc1cc(CCCCC)cc4c1C(C4C2C=O)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -14.041

InChIKey:
RYCRQTFKPVOIIN-UHFFFAOYSA-N

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35155–35175 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