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Molecule Identifiers
Molecular Properties

ID: 82972

SMILES:
C(C)(=C)C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.184

InChIKey:
ZKGKOAJUWMGRFB-UHFFFAOYSA-N

ID: 82973

SMILES:
Oc1cc(CCCCC)c(O)c2c1OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.391

InChIKey:
VPLJVBJCTGJACJ-UHFFFAOYSA-N

ID: 82974

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 82975

SMILES:
Oc1cc(CCCCC)cc2c1C1(C(=O)c3ccccc3)CC(C)(C)C(=O)C(C(C)(C)C=C)C1=C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.652

CB1 binding score: -13.197

InChIKey:
WMVBZJRZLMXBIE-UHFFFAOYSA-N

ID: 82976

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: 82977

SMILES:
c12cc(C)c(O)cc1C(C)(C)Oc1cc(CCCCC)c(C3C(O)C(C)CC(C)(CO)C3)cc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -14.584

InChIKey:
ZUBJEQQRCPDUSR-UHFFFAOYSA-N

ID: 82978

SMILES:
C1C=C2C(CCC2C)C(C)(C)Oc2cc(CCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.411

InChIKey:
CVDDLFDTYNNCHF-UHFFFAOYSA-N

ID: 82979

SMILES:
c1c(C=O)cc(OCCO)c2c1OC(C)(C)C1C2C=C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -13.632

InChIKey:
HAADAWYHGSWMAN-UHFFFAOYSA-N

ID: 82980

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 82981

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 82982

SMILES:
O1c2c(c(O)cc(CCC)c2)C2C=C(CCC=C1C)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -15.047

InChIKey:
UOCBLQXEGJVUQT-UHFFFAOYSA-N

ID: 82983

SMILES:
C(C1C2(C)C(CCC1C)C(C)(C)C(=O)CC2)c1c(O)cc(CCCCC)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -14.019

InChIKey:
WPTHEDJOEJFTTG-UHFFFAOYSA-N

ID: 82984

SMILES:
O=C(O)C(c1c(O)cc(CCCCC)cc1-c1c(O)c(CC=C(C)CCC=C(C)C)c(O)cc1)C(=O)CCCCc1ccccc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 626.834

CB1 binding score: -15.833

InChIKey:
HWWQIFBORZOJEH-UHFFFAOYSA-N

ID: 82985

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(CCCCCCOC(=C)c2ccccc2)c1OC)(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.75

CB1 binding score: -15.744

InChIKey:
AURQAQGYIBVNED-UHFFFAOYSA-N

ID: 82986

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.509

CB1 binding score: -16.211

InChIKey:
KUZMXTOCKFNJON-UHFFFAOYSA-N

ID: 82987

SMILES:
c1(O)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.859

InChIKey:
WRBRAMOWKIFTPD-UHFFFAOYSA-N

ID: 82988

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: 82989

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -17.774

InChIKey:
GKYGKYSJIDSYCQ-UHFFFAOYSA-N

ID: 82990

SMILES:
C1CCC(C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -18.844

InChIKey:
PWPQLXXOFXROSJ-UHFFFAOYSA-N

ID: 82991

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 82992

SMILES:
C12CCC3(C)C1(C)C(c1c(cc(CCCCC)cc1O)O2)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -13.292

InChIKey:
VZTLBBPITISXPB-UHFFFAOYSA-N

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82972–82992 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