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Molecule Identifiers
Molecular Properties

ID: 114472

SMILES:
c1(CC(C)C)ccc(O)c(C2C=C(CO)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.124

InChIKey:
LYUQTDGLAFRFTQ-UHFFFAOYSA-N

ID: 114473

SMILES:
C1C(C)=CCC(C)(C)C=CCC2(C)Oc3cc(c(O)cc3CC=C(C)C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -14.463

InChIKey:
LYRMUKQCQCHPPS-UHFFFAOYSA-N

ID: 114474

SMILES:
c1(C2C=C(C)CCC2C(=C)C)c(OC)c(O)c2c(c1OC)OC(CCC=C(C)C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: Not available

InChIKey:
MYENMVWPMGQDNO-UHFFFAOYSA-N

ID: 114475

SMILES:
C1(=O)CC2(C)C(C1C(C)C)C1C(C)(Oc3cc(CCCCC)cc4c3C(C(C(C)=C)CC1)C4=O)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 490.684

CB1 binding score: -15.635

InChIKey:
WNFTZEBAZXQJCI-UHFFFAOYSA-N

ID: 114476

SMILES:
C1(c2c(O)c3c(cc2CCCCC)OC(C)(C)C2C3CC(C)=CC2)C(C)(C)C(=O)CCC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: Not available

InChIKey:
KUEIEGANFMUKLY-UHFFFAOYSA-N

ID: 114477

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.27

InChIKey:
WPJGAEFIBVPIDI-UHFFFAOYSA-N

ID: 114478

SMILES:
C(C)CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 114479

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C=O)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 114480

SMILES:
CC1(C)C2CCC(C)=CC2c2cc(O)ccc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 114481

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.522

InChIKey:
ZERYKTNQUMHSML-UHFFFAOYSA-N

ID: 114482

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.929

InChIKey:
WAXRLJSGQOFSGH-UHFFFAOYSA-N

ID: 114483

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 114484

SMILES:
CC(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.988

InChIKey:
SOJHVNJFTZELFD-UHFFFAOYSA-N

ID: 114485

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(C)=C)C(c3cc(CCCO)cc(C=O)c3O)CC(C)=C2)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -16.079

InChIKey:
ZVGFSPGNTGHOID-UHFFFAOYSA-N

ID: 114486

SMILES:
C1(O)C2C(C(C)(C)CC1O)C(OC)c1cc(OC)c(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -11.68

InChIKey:
OCSDDWHWGWZSQQ-UHFFFAOYSA-N

ID: 114487

SMILES:
C1CC2(OC(=O)C)C(CC1(C)C)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.517

InChIKey:
PEQDLNCIYWUAFR-UHFFFAOYSA-N

ID: 114488

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)C(=O)CC(C1(C)C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.433

CB1 binding score: -14.935

InChIKey:
AYBRZBNDECNHGG-UHFFFAOYSA-N

ID: 114489

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.573

InChIKey:
RSVBOQDAYNNQQS-UHFFFAOYSA-N

ID: 114490

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.294

InChIKey:
ZIMJUFOXCWFUPM-UHFFFAOYSA-N

ID: 114491

SMILES:
c1c(OCC)c(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -13.72

InChIKey:
QPSPVPQMMCPJEL-UHFFFAOYSA-N

ID: 114492

SMILES:
CC1CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.301

InChIKey:
CPKSIEVLICRQJZ-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