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Molecule Identifiers
Molecular Properties

ID: 130789

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.978

InChIKey:
ZCVYXVHFOBOOMS-UHFFFAOYSA-N

ID: 130790

SMILES:
C(COC1C(C)=CC(c2c(O)cc(CCC)cc2O)C=C(C)C1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.573

InChIKey:
KJXNMQRSBOZMIA-UHFFFAOYSA-N

ID: 130791

SMILES:
Oc1c2c(cc(CCC)c1)OC1(C)C(C(C)CCC1C(C)=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.265

InChIKey:
ONEBZSRCZBVWGL-UHFFFAOYSA-N

ID: 130792

SMILES:
c12c(cc(CCCCC)cc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.438

InChIKey:
NKPBIUKTNLMNFS-UHFFFAOYSA-N

ID: 130793

SMILES:
CC1(C)C2CC=C(C(=O)O)CC2c2c(O)cc(CCCCCO)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.58

InChIKey:
DBHYAHUVLFZZJB-UHFFFAOYSA-N

ID: 130794

SMILES:
CC1(C)C2CC(O)C(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 130795

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 130796

SMILES:
O(c1cc(O)cc(CCCCC)c1)CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.314

InChIKey:
BIQPDOIGNXBVNT-UHFFFAOYSA-N

ID: 130797

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.753

InChIKey:
JESHPOZFMQDEOD-UHFFFAOYSA-N

ID: 130798

SMILES:
C(Cc1c(O)cc(C)c(C2C=C(C)CCC2C(=C)C)c1O)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.605

InChIKey:
OTWRMDDWGJLKMJ-UHFFFAOYSA-N

ID: 130799

SMILES:
C1(CCC=C(C)C)(C)OC(c2ccc(O)c(O)c2)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -17.072

InChIKey:
CCGISOXQSIREAS-UHFFFAOYSA-N

ID: 130800

SMILES:
CC(C)C1C(c2c(O)cc(CCCCC)cc2OC)CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -16.213

InChIKey:
DZTXSEIFUHUSSA-UHFFFAOYSA-N

ID: 130801

SMILES:
C(CCCCCCCO)c1cc2c(c(OC)c1)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -11.593

InChIKey:
QOQFUMMAJDONRA-UHFFFAOYSA-N

ID: 130802

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

ID: 130803

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130804

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 130805

SMILES:
Oc1cc(CCCCC)cc2c1OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.028

InChIKey:
BNDLCGBREIIGHD-UHFFFAOYSA-N

ID: 130806

SMILES:
C1(CC(=CCc2c(O)c(C)cc(OC)c2)C)=CC2(C)C(C)(CC(=O)C=C2C)C(O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -17.205

InChIKey:
FOBDCBZRBCYHFQ-UHFFFAOYSA-N

ID: 130807

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130808

SMILES:
C(=C(C)C)CCC(C)C12CCC(CO)=CC1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.16

InChIKey:
UERMWPXDHYEKRQ-UHFFFAOYSA-N

ID: 130809

SMILES:
C(COc1c2c(cc(C)c1)OC(CCC=C(C)C)(C)C=C2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.288

InChIKey:
SRONXONIRNCWJU-UHFFFAOYSA-N

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130789–130809 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