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Molecule Identifiers
Molecular Properties

ID: 103174

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 103175

SMILES:
C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C2C(OC(=O)C)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.288

InChIKey:
VVYFPEIHVRWKSM-UHFFFAOYSA-N

ID: 103176

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(=C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 103177

SMILES:
C(c1c2c(c(C=O)c(O)c1)-c1c(cc(CCCCC)cc1O)OC2(C)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.538

CB1 binding score: -15.94

InChIKey:
MDWWDKLGTUSYMZ-UHFFFAOYSA-N

ID: 103178

SMILES:
c1(C(O)CC(=O)OCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.143

InChIKey:
CIIJBUJPGZTQDJ-UHFFFAOYSA-N

ID: 103179

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.486

CB1 binding score: -15.274

InChIKey:
SOQHXAHGNKBAFT-UHFFFAOYSA-N

ID: 103180

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.945

InChIKey:
BMHWBDFIQAZUEO-UHFFFAOYSA-N

ID: 103181

SMILES:
CC1(O)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.762

InChIKey:
ICMJYQRNULRNTK-UHFFFAOYSA-N

ID: 103182

SMILES:
CC(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.502

InChIKey:
WUXOXBUFGLESCQ-UHFFFAOYSA-N

ID: 103183

SMILES:
C1CCC(C)(C)Oc2cc(CCCCCCCCCCCCCCCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.744

CB1 binding score: -15.775

InChIKey:
AKLIBUUBCMFPMD-UHFFFAOYSA-N

ID: 103184

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.706

InChIKey:
FBXSVXARSUKKDJ-UHFFFAOYSA-N

ID: 103185

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 103186

SMILES:
Cc1cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.32

InChIKey:
PAUXQOYPCTXHFI-UHFFFAOYSA-N

ID: 103187

SMILES:
C(Cc1cc2c(c(O)c1)C1C(O)C(C)(O2)CCC1C(C)C)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.635

InChIKey:
CZFVBYFUYOZZRY-UHFFFAOYSA-N

ID: 103188

SMILES:
c1c(O)c(CC2C(C)(C)CCCC2=C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.9

InChIKey:
VTNSZNLTOUVMCA-UHFFFAOYSA-N

ID: 103189

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1CC(C(C)=C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 103190

SMILES:
C1(=C)CC2c3c(cc(CCCCC)cc3OC)OC2(C1=O)C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -11.998

InChIKey:
TYOPVZMZXGUDQT-UHFFFAOYSA-N

ID: 103191

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C(=C)C)CCC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -11.984

InChIKey:
LLZVMJUZSZGVFX-UHFFFAOYSA-N

ID: 103192

SMILES:
CC1(C)C2CCC(CO)=CC2c2c(cc(CCCCC)cc2OC)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.153

InChIKey:
FHFWMWLGGRCLAF-UHFFFAOYSA-N

ID: 103193

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(O)CCC=C(C)C2)C(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -13.926

InChIKey:
JGXGAWBUMSYNTI-UHFFFAOYSA-N

ID: 103194

SMILES:
Oc1c(C2C(C(C)C)=CCC(C)C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.45

InChIKey:
MNJRXMSOZKGACN-UHFFFAOYSA-N

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103174–103194 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