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Molecule Identifiers
Molecular Properties

ID: 135178

SMILES:
C1(CC(=CCc2cc(OC)cc(C)c2OC)C)CC(O)C(C)(C)OO1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -15.259

InChIKey:
ZUKAXQMUTISWHW-UHFFFAOYSA-N

ID: 135179

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 135180

SMILES:
C(CCC)Cc1cc(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: 135181

SMILES:
C(CC)C(c1c(C(O)=O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -13.842

InChIKey:
RVZPYODPWOXOHV-UHFFFAOYSA-N

ID: 135182

SMILES:
CC1(C)C2CC(O)C(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.829

InChIKey:
JXXVDKGGZIPBOC-UHFFFAOYSA-N

ID: 135183

SMILES:
c1c(O)c2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.044

InChIKey:
GUYFDVCWQNSRBM-UHFFFAOYSA-N

ID: 135184

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1C(OC(C)=O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.502

InChIKey:
PGBNWCCSWJNLJT-UHFFFAOYSA-N

ID: 135185

SMILES:
C1(=C(C(O)=O)C)C(=O)CC(CCNC)(NC)C2CCC(C)=CC2c2c(c(OC)cc(CCCCC)c2)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.702

CB1 binding score: -13.893

InChIKey:
JZWWMPOTSYWIQK-UHFFFAOYSA-N

ID: 135186

SMILES:
C(C1(C)C=Cc2c(c(CC(CC)O)cc(O)c2)O1)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.43

InChIKey:
BBBYKCARHVGIRK-UHFFFAOYSA-N

ID: 135187

SMILES:
C(=O)C1(C)C2CC3c4c(O)cc(CCCCC)cc4OC(C)C3CC2(O)CC1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -16.069

InChIKey:
SVBIUXVFBGACON-UHFFFAOYSA-N

ID: 135188

SMILES:
C(CC)c1c(O)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.789

InChIKey:
PNDRGHJPIODUJX-UHFFFAOYSA-N

ID: 135189

SMILES:
C1=C(C=O)CCC2c3c(O)cc(CCCCC)cc3OC12C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.76

InChIKey:
YECXTWGHRORNKF-UHFFFAOYSA-N

ID: 135190

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 135191

SMILES:
C1(O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C=CC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.803

InChIKey:
JXJDJXGETBHMTD-UHFFFAOYSA-N

ID: 135192

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC(O)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 135193

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(CCC=C(C)C)(C)C2(O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -15.027

InChIKey:
TZTHZWDKOMSHGH-UHFFFAOYSA-N

ID: 135194

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 135195

SMILES:
c1(OC)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCc2cc(O)cc(O)c2)c1

Pathway: Shikimates and Phenylpropanoids;Terpenoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 394.511

CB1 binding score: -15.929

InChIKey:
UXBOKLZQANAUJW-UHFFFAOYSA-N

ID: 135196

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 135197

SMILES:
OC1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 135198

SMILES:
C(CC1(C)C=Cc2c(O)c(O)c(C(C)C(=O)CC)c(C)c2O1)C(=O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.395

CB1 binding score: -13.968

InChIKey:
REJFPEJDBPSJNC-UHFFFAOYSA-N

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135178–135198 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