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Molecule Identifiers
Molecular Properties

ID: 49162

SMILES:
C(C1(C)C(CCC2(C)C=Cc3cc(O)cc(C)c3O2)=C(C)CCC1C(=C)C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -16.198

InChIKey:
GOXWYAMIMCQOEF-UHFFFAOYSA-N

ID: 49163

SMILES:
C1(C)=CCC(O)C2(C)C1Cc1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.334

InChIKey:
KZYFRPUYVMTMIO-UHFFFAOYSA-N

ID: 49164

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 49165

SMILES:
C1C(C)c2c(O)c(O)c(C(=O)O)c(CCCCC)c2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.401

CB1 binding score: -14.784

InChIKey:
MKQWULDXJPWBLS-UHFFFAOYSA-N

ID: 49166

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 49167

SMILES:
CC1(C)CCCC2(C)c3c(O)cc(CO)cc3OC(C)(C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -13.774

InChIKey:
ZRXZKOKQNDJZKX-UHFFFAOYSA-N

ID: 49168

SMILES:
c1c(O)c2c3c(c1)OC(C)(C)C1CCC(C)C2C13

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -14.387

InChIKey:
WDZQEULGJFRYHI-UHFFFAOYSA-N

ID: 49169

SMILES:
C(CCC)Cc1cc2c(cc1O)C(=O)C1C(OC)CC(C)(C)OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -17.412

InChIKey:
GYELJWSSIDRRFU-UHFFFAOYSA-N

ID: 49170

SMILES:
CC1=C2C(c3c(O)cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.438

InChIKey:
FRMNTWULJFOHHK-UHFFFAOYSA-N

ID: 49171

SMILES:
c1(CCCCC)cc(O)c2c(c1)C1C=C(CO)C(O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.307

InChIKey:
WJRGVDPNNVYSCL-UHFFFAOYSA-N

ID: 49172

SMILES:
C(CCc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.081

InChIKey:
ZXHWYDGJRXVFCS-UHFFFAOYSA-N

ID: 49173

SMILES:
CC1(C)Oc2c3c(cc(O)c2C2C1C(C(=C)C)CCC2(C)O)c(C)ccc3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -16.931

InChIKey:
DUMXOBWRNGQOEM-UHFFFAOYSA-N

ID: 49174

SMILES:
C(C(=CCc1c2c(cc(OC)c1O)CN(C1C(C(=C)C)CCC(C)=CC1)C)O2)C=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 505.743

CB1 binding score: -15.735

InChIKey:
MYLDNVGTEAIQII-UHFFFAOYSA-N

ID: 49175

SMILES:
c12c(C3Cc4c(cc(C)cc4O)OC3(C)C)C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.334

InChIKey:
HQTCZTJJDRWFOD-UHFFFAOYSA-N

ID: 49176

SMILES:
C(CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2OC3(CCC4(C)CCC(=C(C)C)C4C31)O2)c1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.749

CB1 binding score: -12.839

InChIKey:
LKSNEDRALZFRKJ-UHFFFAOYSA-N

ID: 49177

SMILES:
CC(C1C(c2c(O)cc(CCCCC)cc2O)C(=O)C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.653

InChIKey:
ZYTRSNKEPRIXMV-UHFFFAOYSA-N

ID: 49178

SMILES:
c1(O)c2c(cc(CC=C)c1O)OC(C)(C)C1C2CC(C)=CC1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -16.668

InChIKey:
UPGJTMLFPTXWKB-UHFFFAOYSA-N

ID: 49179

SMILES:
C1(CCC=C(C)C)(C)c2c(O)c(O)c(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -12.225

InChIKey:
IRGJJDQRFVQNAH-UHFFFAOYSA-N

ID: 49180

SMILES:
C12(C)CC3C(CC=C(C)C31)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -13.843

InChIKey:
WOCQSYZWJTUGID-UHFFFAOYSA-N

ID: 49181

SMILES:
c1c(O)c(C(C=C)CCC=C(C)C)c(O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.222

InChIKey:
YWRDVGIBZPLZBX-UHFFFAOYSA-N

ID: 49182

SMILES:
C1(C)=C2C(OC)(OC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.204

InChIKey:
PVRLNLWJRBKJSA-UHFFFAOYSA-N

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49162–49182 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