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Molecule Identifiers
Molecular Properties

ID: 75097

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(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: 75098

SMILES:
c1(OC)cc2c(cc1CCCCC)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -16.888

InChIKey:
MYEICQIIZBYJFD-UHFFFAOYSA-N

ID: 75099

SMILES:
C(C)CCCc1cc2c(cc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.716

InChIKey:
MMMBBXWSLJXQAV-UHFFFAOYSA-N

ID: 75100

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1(O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.56

InChIKey:
VBPOXSBFZQHISD-UHFFFAOYSA-N

ID: 75101

SMILES:
c12c(O)cc(CCCCC)c(C(=O)O)c1OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.788

InChIKey:
WYBMDFACRRWCSA-UHFFFAOYSA-N

ID: 75102

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C=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: 75103

SMILES:
C1(O)C(O)CC(CO)C23OC(=O)C(=C)C12Oc1cc(CCCC)cc(O)c13

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.405

CB1 binding score: -15.328

InChIKey:
GIIWFPXEJHADSF-UHFFFAOYSA-N

ID: 75104

SMILES:
C(CCCCCC)C(c1cc2c(c(OCCC(C)C)c1)OC(C)(C)C1CC=C(C)CC12)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -15.315

InChIKey:
ISLZKQFJSZBVPH-UHFFFAOYSA-N

ID: 75105

SMILES:
C(Oc1c(O)cc2c(c1CCCCC)OC(C)(C)C1CC=C(C)CC21)(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.385

InChIKey:
GMIOKZVKJHSKMR-UHFFFAOYSA-N

ID: 75106

SMILES:
C(=CCc1c(O)cc(CC(O)C)c(O)c1)(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.306

InChIKey:
QJRQZQBJSJPOFD-UHFFFAOYSA-N

ID: 75107

SMILES:
CC(C)=CCC(=O)c1c(CCCCC)cc(O)c2c1OC(C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.03

InChIKey:
KKKZPRLSRBRBDP-UHFFFAOYSA-N

ID: 75108

SMILES:
c1(Br)c(C)c2c(cc1)CCC1C(C)(C)Oc3cc(C)c(C(=O)CC(C)C)c(O)c3C(C=O)(C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 555.553

CB1 binding score: -15.633

InChIKey:
VZKHITMESGIZBX-UHFFFAOYSA-N

ID: 75109

SMILES:
c12c(c(O)c(CC=C(C)CCC=C(C)C)cc1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.419

InChIKey:
IFUOPSJQWVLLQV-UHFFFAOYSA-N

ID: 75110

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 75111

SMILES:
COc1c(CC=C(C)CCC=C(C)C)c(OC)cc(CCc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 546.792

CB1 binding score: -15.677

InChIKey:
JQJBMLYEYGWJKW-UHFFFAOYSA-N

ID: 75112

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(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: 75113

SMILES:
C(C1=CCC2c3c(cc(CCCCC)c(C(O)=O)c3O)OC(CO)C(C)C2CC1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -14.473

InChIKey:
YYHMPYWMTZYAFH-UHFFFAOYSA-N

ID: 75114

SMILES:
Oc1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.889

InChIKey:
UQZHCXRAKGTLRR-UHFFFAOYSA-N

ID: 75115

SMILES:
c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.438

InChIKey:
NKPBIUKTNLMNFS-UHFFFAOYSA-N

ID: 75116

SMILES:
Oc1c(C=CC=CC)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.762

InChIKey:
PZYHSNZIZVUSIE-UHFFFAOYSA-N

ID: 75117

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

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75097–75117 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