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Molecule Identifiers
Molecular Properties

ID: 134338

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134339

SMILES:
C(=CC(C)(C)OC)CC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Aromatic polyketides

Class: Cannabinoids;Catechols with side chains

MW: 360.538

CB1 binding score: -16.015

InChIKey:
VFMXABLYCXOQAQ-UHFFFAOYSA-N

ID: 134340

SMILES:
C(C)(Cc1c(O)c2c(cc1O)OC(C)(C)C1CCC(C)(O)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.744

InChIKey:
ZDULAVHLAJSEGU-UHFFFAOYSA-N

ID: 134341

SMILES:
C(N)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(OC)OC)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 361.482

CB1 binding score: -14.936

InChIKey:
BFFQKBLRJFTJQT-UHFFFAOYSA-N

ID: 134342

SMILES:
CC(O)(C)CCc1c(O)cc(C)cc1OC1CC(CC=O)C(C=O)=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.369

InChIKey:
VUBHBIOKYNAYKU-UHFFFAOYSA-N

ID: 134343

SMILES:
CC1(C)C2(O)C(C=C(C)CC2)c2c(O)cc(CCCCC[N+](C)(C)C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.572

CB1 binding score: -16.254

InChIKey:
HHPILCDHQNALHE-UHFFFAOYSA-O

ID: 134344

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.429

InChIKey:
CFWHOZAEDWUHJN-UHFFFAOYSA-N

ID: 134345

SMILES:
CC1Cc2c(O)cc(C)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 206.285

CB1 binding score: -17.53

InChIKey:
DBLZPHUJXCSXCX-UHFFFAOYSA-N

ID: 134346

SMILES:
c1(C2C=C(C)CCC2C(C)=C)c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 134347

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 134348

SMILES:
C(c1cc(C)c(O)c(C2C(C(=C)C)CCC(C)=C2)c1O)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.66

InChIKey:
IRYOAYGFQGPPOR-UHFFFAOYSA-N

ID: 134349

SMILES:
C1(C)=C2C(CCC(C)=C2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.567

InChIKey:
XMPKOYOEGRCOIT-UHFFFAOYSA-N

ID: 134350

SMILES:
CC1=CC2Oc3c(O)cc(CCCCC)cc3OC2(C)CCC2C1CC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.641

InChIKey:
YSPJNFMRMBHVQB-UHFFFAOYSA-N

ID: 134351

SMILES:
CC(=CCCC(=CCC1(Cc2c(O)cc(CCCCC)cc2O)C2(C)OC(C)(C)C=C1)CCC2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.733

CB1 binding score: -15.929

InChIKey:
PZFZWXMAESVXRK-UHFFFAOYSA-N

ID: 134352

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 134353

SMILES:
Oc1c(CC=C(CCC=C(C)CCCC(C)C(O)=O)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -16.847

InChIKey:
LGSBIZHRTDDLPA-UHFFFAOYSA-N

ID: 134354

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 134355

SMILES:
C(C=C(C)C)(CC(=CCc1c(O)cc(CCCCC)cc1OC)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.495

CB1 binding score: -18.585

InChIKey:
WIXPCHIMOONVHR-UHFFFAOYSA-N

ID: 134356

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 134357

SMILES:
C(CC)CCc1c2c(c(OC)cc1)OC(C)(C)C1CCC(C)=CC1c1occc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -13.156

InChIKey:
APRMNHKVBNEYJV-UHFFFAOYSA-N

ID: 134358

SMILES:
C(C)(CCCc1cc2c(c(O)c1)C1C(C3(C)C1(C)CCC3C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.875

InChIKey:
QOJMCFHCSCKVKI-UHFFFAOYSA-N

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134338–134358 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