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Molecule Identifiers
Molecular Properties

ID: 130348

SMILES:
C(c1ccc2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCCCC=CCC=CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.762

CB1 binding score: -16.015

InChIKey:
QGFOMLSKGVMKCR-UHFFFAOYSA-N

ID: 130349

SMILES:
c12cc(O)c(O)c(CC=C(C)C)c1C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -11.29

InChIKey:
RMYDLTACGAFZMC-UHFFFAOYSA-N

ID: 130350

SMILES:
C(C)(C)=CCCC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 130351

SMILES:
c12cc(OC)c(OC)cc1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -19.512

InChIKey:
XSVIAZSLVNZZSQ-UHFFFAOYSA-N

ID: 130352

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130353

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.593

InChIKey:
RHRYIQNXICLAPT-UHFFFAOYSA-N

ID: 130354

SMILES:
CC1(C)C2C(CC(C)=CC2)c2c(O)cc(CCCO)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -18.982

InChIKey:
YHRKDYNPHSYSLA-UHFFFAOYSA-N

ID: 130355

SMILES:
C1(C(C)C)(O)CCC(C)=CC1c1c(O)cc(CCCCC)c(C(O)=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.792

InChIKey:
IWQNTFYTPSAZON-UHFFFAOYSA-N

ID: 130356

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130357

SMILES:
O1c2cc(CCCCC)ccc2C2C=C(C)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -17.027

InChIKey:
QVHCRRUEBSJQDW-UHFFFAOYSA-N

ID: 130358

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)c1cc3c(cc12)C1(C)CCC(C=C)(C)CC1C3=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.642

CB1 binding score: -11.814

InChIKey:
QUABNPJODJKPJF-UHFFFAOYSA-N

ID: 130359

SMILES:
C(CCc1cc(O)c(C2(OC)CC=C(CCC=C(C)C)CC2)c(O)c1)CCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.711

CB1 binding score: -13.522

InChIKey:
MCJHCGDZSMEQMH-UHFFFAOYSA-N

ID: 130360

SMILES:
C(CCc1cc(O)c(C2C=C(C)C=CC2C(C)C)c(O)c1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -13.99

InChIKey:
NNQKSHCFDLTWCE-UHFFFAOYSA-N

ID: 130361

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.603

InChIKey:
MUHCINLDLTYLCH-UHFFFAOYSA-N

ID: 130362

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 130363

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1(O)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.093

InChIKey:
MCDPOKHXTOSYSL-UHFFFAOYSA-N

ID: 130364

SMILES:
Oc1c2c(c(O)c(C(C(=C)C)=O)c1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -14.605

InChIKey:
QSARNAWANHMTSP-UHFFFAOYSA-N

ID: 130365

SMILES:
C1C(CO)(C#N)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 339.479

CB1 binding score: -13.951

InChIKey:
NYOFTKUJZWWVQS-UHFFFAOYSA-N

ID: 130366

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 130367

SMILES:
C12=C3C(c4cc(C)cc(O)c4C1(O)C=CC(C)(C)O2)CC1C(C)(O)CCC1C(C)(C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -14.816

InChIKey:
OYQVOGVCRSABGS-UHFFFAOYSA-N

ID: 130368

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2CCCC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.773

InChIKey:
GVVMQETWTXZBJQ-UHFFFAOYSA-N

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130348–130368 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