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Molecule Identifiers
Molecular Properties

ID: 129151

SMILES:
CC=C(C(Oc1cc(CCCCC)cc(OC(=O)C)c1CC=C(C)C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.603

InChIKey:
NUXKXFKPRMCYNK-UHFFFAOYSA-N

ID: 129152

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 129153

SMILES:
CC1CCC(C(CO)C)C1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -17.811

InChIKey:
CWLWMRSOTYGVQU-UHFFFAOYSA-N

ID: 129154

SMILES:
C(C)(Cc1c(O)c(O)cc2c1C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.768

InChIKey:
QQCBRVKNDQKXMM-UHFFFAOYSA-N

ID: 129155

SMILES:
C1(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 129156

SMILES:
C12CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 129157

SMILES:
C1(C)=CCC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.358

InChIKey:
VXJTXJOKIPKJFI-UHFFFAOYSA-N

ID: 129158

SMILES:
C1CC(=C)C(O)C(c2c(O)cc(CCC)cc2O)C1(CCC=C(CCC=C(C)C)C)CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -16.64

InChIKey:
YUTJSKAAWAVJHH-UHFFFAOYSA-N

ID: 129159

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 129160

SMILES:
C1=C(C)CCCC(C)=CC2c3c(ccc(CC=C(C)C)c3O)OC2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -18.089

InChIKey:
MVYKNEVMDGNBQU-UHFFFAOYSA-N

ID: 129161

SMILES:
C12C(C(C)(C)Oc3cc(C)cc(O)c31)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -18.57

InChIKey:
JWVNDMUNWMFDDK-UHFFFAOYSA-N

ID: 129162

SMILES:
CCCCC1CC(CCC=C(C)C)=CCC1c1ccc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.502

InChIKey:
ZDHLXWOXXNITNG-UHFFFAOYSA-N

ID: 129163

SMILES:
CC1COc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 220.312

CB1 binding score: -17.981

InChIKey:
UWGQWWRWOAVBSG-UHFFFAOYSA-N

ID: 129164

SMILES:
C12C(C)(C)Oc3cc(CCC(C)(OC)CC(OC)=O)ccc3C1(C)CCC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.082

InChIKey:
FGFWMLJHIUENRT-UHFFFAOYSA-N

ID: 129165

SMILES:
C1(=O)C=C(C(C)(C)C)C(c2cc(CCCCC)cc(O)c2)CC1(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.217

InChIKey:
CBXNLXZLEXBYOA-UHFFFAOYSA-N

ID: 129166

SMILES:
CC1(C)C2c3c(O)cc(CCCCC)cc3OC(C)(CC2)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.742

InChIKey:
MVRNHNZLZFNCAP-UHFFFAOYSA-N

ID: 129167

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(OC(C)=O)(C)CCC(C(C)=C)OO1)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.514

CB1 binding score: -14.488

InChIKey:
VXYLGCIPRNMFME-UHFFFAOYSA-N

ID: 129168

SMILES:
c12c(c(O)c(C3C(C(C)=C)CCC(C)=C3)c(O)c1C)c(CC=C(C)CCC=C(C)C)cc(O)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.658

CB1 binding score: -15.374

InChIKey:
LCNPXMUTCFTHDV-UHFFFAOYSA-N

ID: 129169

SMILES:
CC1(O)CCc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -17.974

InChIKey:
UWCDDQGADQVJPN-UHFFFAOYSA-N

ID: 129170

SMILES:
C1(CO)CCC2C(C)(C)Oc3cc(OC)c(CCCCC)cc3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.982

InChIKey:
TZDJKLFGWSXAEC-UHFFFAOYSA-N

ID: 129171

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

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129151–129171 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