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Molecule Identifiers
Molecular Properties

ID: 104287

SMILES:
CC(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.068

InChIKey:
CPZWKXRSBORARS-UHFFFAOYSA-N

ID: 104288

SMILES:
C1C(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C(=O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.994

InChIKey:
GJVSBAWKKHVKBM-UHFFFAOYSA-N

ID: 104289

SMILES:
c1(CC=C(CCC=C(C)C)C)c(OC)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -18.913

InChIKey:
GDBWRAFIFHBEOL-UHFFFAOYSA-N

ID: 104290

SMILES:
O=C(OCc1cc(C2C(C(=C)C)CCC(C)=C2)c(O)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.673

InChIKey:
XPHQHVZQVTYLDA-UHFFFAOYSA-N

ID: 104291

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 104292

SMILES:
CC1c2c(cc(C)cc2)C(C)(C)Oc2cc(OC)cc(CCCO)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -15.288

InChIKey:
NNEHXNDETQMJKK-UHFFFAOYSA-N

ID: 104293

SMILES:
C(CC)CCc1cc(OC2CC(C)(C)OC(C)(c3ccc(C)cc3)CC2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -12.154

InChIKey:
MVGCLHNSBXPXEQ-UHFFFAOYSA-N

ID: 104294

SMILES:
Cc1c(OC)c(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.049

InChIKey:
ANBHAOJZFCATKM-UHFFFAOYSA-N

ID: 104295

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 104296

SMILES:
COC1(c2c(O)c(C(=O)O)c(CCCCC)cc2OC)C=C(CCC=C(C)C)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: Not available

InChIKey:
DAARYBCTGYBDIR-UHFFFAOYSA-N

ID: 104297

SMILES:
C12(CCC(CO)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.67

InChIKey:
HGWGOAMQJDACCI-UHFFFAOYSA-N

ID: 104298

SMILES:
c1(O)c(CC=C(C)C)c(O)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.085

InChIKey:
DXSKUBRMLHRYFY-UHFFFAOYSA-N

ID: 104299

SMILES:
C1CC(CCC=C(C)C)(C)C(O)Cc2c1cc(CCCCC)cc2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -11.867

InChIKey:
CFTMRHWMTWZAPS-UHFFFAOYSA-N

ID: 104300

SMILES:
CC(C1C(Oc2cc(O)cc(C)c2)(CC(C)C)Oc2cc(CCCCCC)cc(O)c2C1)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -14.477

InChIKey:
QHLKJVPBNSFUKB-UHFFFAOYSA-N

ID: 104301

SMILES:
C1c2c(c(C)cc(O)c2)OC(CC=C(C)CCC=C(C)C)=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.374

InChIKey:
LLGSFBQFLAPTNI-UHFFFAOYSA-N

ID: 104302

SMILES:
O=C(Oc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.199

InChIKey:
QAPPUTJYSMULEP-UHFFFAOYSA-N

ID: 104303

SMILES:
c12c(CCCCC)cc(OC)cc1CC1C(C)(CC(C(=C)C)CC1=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.041

InChIKey:
LIOJFYRMQOUQID-UHFFFAOYSA-N

ID: 104304

SMILES:
O1C(C)(CCCC(C)=C)CCC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -17.045

InChIKey:
QJAIVJJPNLVRFB-UHFFFAOYSA-N

ID: 104305

SMILES:
O1c2c(c(O)cc(C)c2)C(C)C1(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.774

InChIKey:
NQQJCDOUMQUYST-UHFFFAOYSA-N

ID: 104306

SMILES:
O1c2cc(CCCCC)cc(O)c2C(=O)CC1(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.376

InChIKey:
AAZSXXIEAYXFSH-UHFFFAOYSA-N

ID: 104307

SMILES:
C(CCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(O)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.269

InChIKey:
SEZYEGYUECNXNK-UHFFFAOYSA-N

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104287–104307 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