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Molecule Identifiers
Molecular Properties

ID: 134317

SMILES:
CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 134318

SMILES:
C12C(C)CCC1C(CO)(C)Oc1c2c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -18.649

InChIKey:
QZDPZBXRYXKQQD-UHFFFAOYSA-N

ID: 134319

SMILES:
C(C=C(C)C)CC(=CCc1c(O)cc(CC(O)C(C)(CC)OC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 376.537

CB1 binding score: -15.717

InChIKey:
ZYRVUJMKWAZVPE-UHFFFAOYSA-N

ID: 134320

SMILES:
Oc1c(O)cc2c(c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -20.544

InChIKey:
MBKJEOZJMBSFKH-UHFFFAOYSA-N

ID: 134321

SMILES:
C12C(CC(=O)C(=C)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.663

InChIKey:
UFPUDVVGPHEVLF-UHFFFAOYSA-N

ID: 134322

SMILES:
c12c(c3c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O3)occ2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.354

CB1 binding score: -15.01

InChIKey:
SQWGGDWYDIMMIV-UHFFFAOYSA-N

ID: 134323

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 134324

SMILES:
CC1c2c(O)cc(COC(=O)C)cc2OC(C2C(C)(C)O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.358

CB1 binding score: -15.701

InChIKey:
UIXZYIRWSRGBSR-UHFFFAOYSA-N

ID: 134325

SMILES:
Oc1c(C2C=C(C)CCC2C(=C)C)c(C(CCC=C(C)C)C)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.395

InChIKey:
GEZNBTMRHSOVRC-UHFFFAOYSA-N

ID: 134326

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: 134327

SMILES:
C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 134328

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.248

InChIKey:
SEFREFHBMVNQBU-UHFFFAOYSA-N

ID: 134329

SMILES:
OC12C(CCC(=C)C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.56

InChIKey:
UQALAHMDMYSYFE-UHFFFAOYSA-N

ID: 134330

SMILES:
C(CC)CCc1cc2c(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: 134331

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.876

InChIKey:
IPSRDQVAMLVZRQ-UHFFFAOYSA-N

ID: 134332

SMILES:
C1(O)CC(C)C2C1c1c(cc(CCCCC)cc1OC)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.725

InChIKey:
LHMXOWNXRVOZFK-UHFFFAOYSA-N

ID: 134333

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C3C1(C=CC=C(CO)C)OC3CC1(C)OC21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.526

CB1 binding score: -12.769

InChIKey:
KXJTZLDZDHYIEM-UHFFFAOYSA-N

ID: 134334

SMILES:
C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134335

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.769

InChIKey:
HAXHCMLEXUQMFG-UHFFFAOYSA-N

ID: 134336

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C1C(CCC=C(C)C)(C)C(C(=O)C(O)CC)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -15.629

InChIKey:
GFJGZUAHUMUNTP-UHFFFAOYSA-N

ID: 134337

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCC)cc1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties