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Molecule Identifiers
Molecular Properties

ID: 58234

SMILES:
C1C2C(=C(C)C1)C(C)(C)Oc1c2c(O)cc(CCCCCO)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.608

InChIKey:
WYRVFNJXJFIJRD-UHFFFAOYSA-N

ID: 58235

SMILES:
C1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C(CO)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.174

InChIKey:
CJRHYYRYCGLADH-UHFFFAOYSA-N

ID: 58236

SMILES:
C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -19.108

InChIKey:
KCGRQTUOQYSEJY-UHFFFAOYSA-N

ID: 58237

SMILES:
O=C(Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.33

InChIKey:
FTVPPOZRTMQXMB-UHFFFAOYSA-N

ID: 58238

SMILES:
O1C(=O)c2cc3c(c(OC)c-3c(CCCCCC)c2)C2C(C(C)=C)CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.566

CB1 binding score: -16.369

InChIKey:
BDVGEHVJYIYZMO-UHFFFAOYSA-N

ID: 58239

SMILES:
C12(CC(=O)OC1)c1c(cc(C)cc1O)OC(C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.331

CB1 binding score: -14.45

InChIKey:
GLZHZZCLIRZLQC-UHFFFAOYSA-N

ID: 58240

SMILES:
CC(C)C1=C(C)CC(C)CC(c2c(O)ccc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.54

CB1 binding score: -14.631

InChIKey:
ZDMJXIQCQMVKLW-UHFFFAOYSA-N

ID: 58241

SMILES:
C(CCCC)c1cc2c(c(O)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.028

InChIKey:
BNDLCGBREIIGHD-UHFFFAOYSA-N

ID: 58242

SMILES:
C(C=C(C)C)CC(=C)C=Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.761

InChIKey:
RNUWJDBDWZBBGD-UHFFFAOYSA-N

ID: 58243

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.979

InChIKey:
ULASTLGOVDSGEJ-UHFFFAOYSA-N

ID: 58244

SMILES:
C12(C)CCCC(C)(C)C1C(O)c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.96

InChIKey:
DDIVQORSYYKRDX-UHFFFAOYSA-N

ID: 58245

SMILES:
O=C(C)C1(C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.602

InChIKey:
LWQHZEITGVFSGD-UHFFFAOYSA-N

ID: 58246

SMILES:
C1(CCC=C(C)C)(C)Oc2cc(CCCCC)ccc2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.334

InChIKey:
GKTLMTLABYYGES-UHFFFAOYSA-N

ID: 58247

SMILES:
C1(c2c(OC)ccc(CC[N+](C)(C)O)c2)C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.492

CB1 binding score: -17.083

InChIKey:
APHOZERXLQQVOV-UHFFFAOYSA-N

ID: 58248

SMILES:
C1(=C)C=C2c3c(cc(CCCCC)cc3OC1)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -15.86

InChIKey:
KUTCNXNFGYRTBT-UHFFFAOYSA-N

ID: 58249

SMILES:
C1(C)(C)Oc2cc(CCCCC)c(-c3cc(C)cc(C)c3)c(C(C)C)c2Cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.6

CB1 binding score: Not available

InChIKey:
UFUDQCXLIKYSPA-UHFFFAOYSA-N

ID: 58250

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.06

InChIKey:
WQVFVTKXRBQFFH-UHFFFAOYSA-N

ID: 58251

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.114

InChIKey:
YDTJRFRUCSGCSH-UHFFFAOYSA-N

ID: 58252

SMILES:
C1(O)C2(C)CCC(C(C)=C)C(c3c(O)cc(CCCCC)cc3O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.792

InChIKey:
PANCLMXRCWESGS-UHFFFAOYSA-N

ID: 58253

SMILES:
C1C=C(C(O)=O)CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.495

CB1 binding score: -12.016

InChIKey:
MHLBQHRRVMATJT-UHFFFAOYSA-N

ID: 58254

SMILES:
CC1=CC2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.951

InChIKey:
CSAQQDLBKSCGOR-UHFFFAOYSA-N

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58234–58254 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