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Molecule Identifiers
Molecular Properties

ID: 74194

SMILES:
CCCCCc1cc2c(c(O)c1)OC(CCC=C(C)CO)(C)C(=O)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: Not available

InChIKey:
FMBRIHGNKOHQLI-UHFFFAOYSA-N

ID: 74195

SMILES:
C(C)CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C(C=C(CO)CC2)OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -16.502

InChIKey:
PLTYIAAJOWQGKA-UHFFFAOYSA-N

ID: 74196

SMILES:
c1(OC)c(O)c2c(cc1C)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.049

InChIKey:
ANBHAOJZFCATKM-UHFFFAOYSA-N

ID: 74197

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C=O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.502

InChIKey:
NJUSQGSRPAVXII-UHFFFAOYSA-N

ID: 74198

SMILES:
C1(C)=CC2c3c(cc(C)c(O)c3)OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 74199

SMILES:
C(CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 74200

SMILES:
c1(O)c2c(cc(CCCCCCCCCCCCCCC)c1)OC(C)(C)CCC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.663

CB1 binding score: -16.676

InChIKey:
KHDKXYFHIKCLKQ-UHFFFAOYSA-N

ID: 74201

SMILES:
c1c(CCCCC)cc(OC)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -19.394

InChIKey:
KGRDDHLANLEPSJ-UHFFFAOYSA-N

ID: 74202

SMILES:
C1(C)(C)Oc2c(O)c(C(=O)O)cc(CCCCC)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.717

InChIKey:
GGORBBRLWSKORM-UHFFFAOYSA-N

ID: 74203

SMILES:
CC1=CC2=CCOC2(CC=C(C)C)C=C1C(CC(=O)OC)c1cc(CCCCC)ccc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -17.042

InChIKey:
YJMFJNQINFJZIA-UHFFFAOYSA-N

ID: 74204

SMILES:
C12(C)CCC(=C(C)C)C1CCc1c(O)cc(CCCC)cc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -14.495

InChIKey:
SFDIDRWXIRQWTG-UHFFFAOYSA-N

ID: 74205

SMILES:
C1(=O)C(C)CCC2C(C)(C)Oc3c(c(O)c(C(=O)C(CC)C)cc3O)C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.45

InChIKey:
BQWMDDMBDWDVEH-UHFFFAOYSA-N

ID: 74206

SMILES:
C1(C(O)(C)C)Oc2cc(CCC)cc(O)c2C2CC(C)=CC(=O)C2C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -11.831

InChIKey:
URUJMFMULXDKMF-UHFFFAOYSA-N

ID: 74207

SMILES:
C1C(C)=CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 74208

SMILES:
C(C)c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)c(O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.354

CB1 binding score: -14.254

InChIKey:
CSGMCRIFMREYBC-UHFFFAOYSA-N

ID: 74209

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(OC(C)=O)CCC1C(=C)C)O2)=CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.734

InChIKey:
LSEBJLUOBPXEHX-UHFFFAOYSA-N

ID: 74210

SMILES:
c1c(CCCCC)cc2c(c1O)C1C(CCC(=C)C1C2)C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -15.8

InChIKey:
BPFZUVFUHBVILH-UHFFFAOYSA-N

ID: 74211

SMILES:
C=C1C(O)CC2(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=CC(C)=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.633

InChIKey:
UGGOUIRCGPZVCE-UHFFFAOYSA-N

ID: 74212

SMILES:
C12C(=CC(=C)CCC1C(C)C)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -12.694

InChIKey:
ZYNJNEMFNSRRCI-UHFFFAOYSA-N

ID: 74213

SMILES:
CCCCCCc1cc2c(c(O)c1C(=O)CC1C(=C)CCC(CO)C1(CCC=C(C)C)C)C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.771

CB1 binding score: -15.121

InChIKey:
LUHNKUQNSPNUKH-UHFFFAOYSA-N

ID: 74214

SMILES:
CC1(C)C2CCc3c4c(c(O)c(OC)c3C2C=C(C)C4)OC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.816

InChIKey:
YHNGSSUVAOEIOM-UHFFFAOYSA-N

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74194–74214 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