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Molecule Identifiers
Molecular Properties

ID: 135451

SMILES:
O1c2cc(CCC)cc(O)c2C2CC(C)(O)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 135452

SMILES:
C1CC(=C)C(c2c(O)cc(CCC)cc2O)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -14.605

InChIKey:
IQHYQTWSHABNJR-UHFFFAOYSA-N

ID: 135453

SMILES:
CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 135454

SMILES:
c1(O)cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.048

InChIKey:
FUZJMTMPVZRGQF-UHFFFAOYSA-N

ID: 135455

SMILES:
Oc1cc(CCCCC)cc2c1C1C=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: 135456

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 135457

SMILES:
C1CC(C)(O)CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 135458

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135459

SMILES:
OC1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

ID: 135460

SMILES:
C1C2CC3(C)C4Cc5c(O)cc(CCCCC)cc5OC(C)(C)C4CCC123

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.183

InChIKey:
QFIACCFGIREARA-UHFFFAOYSA-N

ID: 135461

SMILES:
C1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 135462

SMILES:
CC(C)C1CCC(C)=CC1c1c(O)c(-c2cc(CCCCC)cc(O)c2)cc(CC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.701

CB1 binding score: -14.352

InChIKey:
GYISIOJYZCPLRV-UHFFFAOYSA-N

ID: 135463

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 135464

SMILES:
C(C)(C)C1CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.811

InChIKey:
LMRIZMMMXMGMEH-UHFFFAOYSA-N

ID: 135465

SMILES:
C1(C(C)=C)CCC(C)=CC1c1c(O)c(CC=C(C)C)c(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.085

InChIKey:
DXSKUBRMLHRYFY-UHFFFAOYSA-N

ID: 135466

SMILES:
C12CCC(C)=CC1c1c(cc(CCCCC)cc1OC)OC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.284

InChIKey:
YIDIAFMHIWVWIY-UHFFFAOYSA-N

ID: 135467

SMILES:
C1=C(C)C(O)C(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1OO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -12.249

InChIKey:
RRXKVDDQLDNPAA-UHFFFAOYSA-N

ID: 135468

SMILES:
c12c(O)cc(OC)c(OC)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -17.346

InChIKey:
JKQHZBTTXNXECZ-UHFFFAOYSA-N

ID: 135469

SMILES:
C(CCC=C(C)C)(C)=CCc1c(=O)c2ccccc2c(O)c(C2C=C(C)CCC2C(=C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.642

CB1 binding score: -13.281

InChIKey:
HKONDSIKBAALKA-UHFFFAOYSA-N

ID: 135470

SMILES:
Oc1c(C2C=C(C)CCC2C(=C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 135471

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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135451–135471 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