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Molecule Identifiers
Molecular Properties

ID: 48847

SMILES:
C12(C)Oc3c(c(O)cc(C)c3)C(C1)C(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: Not available

InChIKey:
XGYLXVDTFTVNBN-UHFFFAOYSA-N

ID: 48848

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 48849

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)C(=O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.778

InChIKey:
UQPUAGROCZMHSP-UHFFFAOYSA-N

ID: 48850

SMILES:
COc1c(C2C(O)C(C)=CCC2C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.573

InChIKey:
RSVBOQDAYNNQQS-UHFFFAOYSA-N

ID: 48851

SMILES:
c1c(CC(C)C)c(C(=O)O)c(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.981

InChIKey:
QEWHDNSLPURXEE-UHFFFAOYSA-N

ID: 48852

SMILES:
c12c(cc(CCC)cc1O)OC(C)(C)C1=CCC(C)(O)C(O)C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.636

InChIKey:
RKTJATRKKYTKKW-UHFFFAOYSA-N

ID: 48853

SMILES:
CC(C)=CCCC(=CCCC1(C)C=Cc2c(O)cc(CCCCC)cc2O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.944

InChIKey:
PXPDKUHGJIMKBA-UHFFFAOYSA-N

ID: 48854

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 48855

SMILES:
Oc1c(C(=O)CC(C)C)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.108

InChIKey:
UJPMKJJACNUCEQ-UHFFFAOYSA-N

ID: 48856

SMILES:
O(C(=O)c1c(O)cc2c(c1)OC13OC2CCC1C(CCC1OC1(C)C)(C)Oc1c3ccc(C)c1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.584

CB1 binding score: -15.541

InChIKey:
PWJWQUMHSJWIHC-UHFFFAOYSA-N

ID: 48857

SMILES:
c1(-c2ccc(OC)cc2)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.458

CB1 binding score: -16.778

InChIKey:
JZMJOOQGDHYNBU-UHFFFAOYSA-N

ID: 48858

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C)(O1)CCC1C(C)(C)CCCC12C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.689

InChIKey:
CDZRTMMJNSNUQI-UHFFFAOYSA-N

ID: 48859

SMILES:
C1(C)CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -21.078

InChIKey:
LXIXAVCVBZBXIY-UHFFFAOYSA-N

ID: 48860

SMILES:
O1c2cc(OC)cc(O)c2CC12C(C(C)=C)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -13.3

InChIKey:
WJCMFYOQCLOHFT-UHFFFAOYSA-N

ID: 48861

SMILES:
CC12Cc3c(O)cc(CCCCC)cc3OC1(CO)C(O)C(O)C2C(CCC=C(C)C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.627

CB1 binding score: -17.437

InChIKey:
LEIOLSNTZGNQTE-UHFFFAOYSA-N

ID: 48862

SMILES:
C12C3(c4c(cc(CCCCC)cc4O)OC1(C)C=C3)COCC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -12.765

InChIKey:
HQGDYHFVGJMKTO-UHFFFAOYSA-N

ID: 48863

SMILES:
OC(c1c(CCCCC)cc2c(c1O)C1C(C(C)(O)CCC1C(C)=C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -17.338

InChIKey:
OQCOBNKTUMOOHJ-UHFFFAOYSA-N

ID: 48864

SMILES:
C(CCC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 48865

SMILES:
C1C2C(O)(C)CCC(O)C(C)CCC(C(C)(C)Oc3cc(CCC)cc(O)c32)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.563

CB1 binding score: -16.74

InChIKey:
VRIHEBURBMKYQR-UHFFFAOYSA-N

ID: 48866

SMILES:
C1C2(CO)C(C)=CCC3C(C)(C)C3C2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.088

InChIKey:
DDTVFMVTNKMNJM-UHFFFAOYSA-N

ID: 48867

SMILES:
c1(O)cc(OC)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.662

InChIKey:
MTJFYDONBDGRHM-UHFFFAOYSA-N

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48847–48867 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