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Molecule Identifiers
Molecular Properties

ID: 134968

SMILES:
C(c1cc(O)c2c(c1)OC(C)(CCC=C(Cc1cc(C)co1)C)C=C2)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -17.123

InChIKey:
KURCUNOIPLVMPG-UHFFFAOYSA-N

ID: 134969

SMILES:
CC1CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 134970

SMILES:
C(=O)C12CCC(C)CC1c1c(cc(CCCCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.54

InChIKey:
BVYLSEABWJETMB-UHFFFAOYSA-N

ID: 134971

SMILES:
C(C(C)=CCc1c(O)cc(CCC)cc1O)CCC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -18.344

InChIKey:
XESCMJIZCRQPFS-UHFFFAOYSA-N

ID: 134972

SMILES:
c12c(O)cc(CCC)c(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.536

InChIKey:
JFMVSGJOZFPANL-UHFFFAOYSA-N

ID: 134973

SMILES:
c1(CC(C)=O)cc(C2C(C(=C)C)CCC(C)=C2)c(O)c(C=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -16.249

InChIKey:
XUHGDCFWQPPHAG-UHFFFAOYSA-N

ID: 134974

SMILES:
C1(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.723

InChIKey:
WKFVIMFNRJVSJG-UHFFFAOYSA-N

ID: 134975

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.492

CB1 binding score: -15.613

InChIKey:
YAFBHJMQNNHJPY-UHFFFAOYSA-N

ID: 134976

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -19.259

InChIKey:
HWDHUHPHIJOKDT-UHFFFAOYSA-N

ID: 134977

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -14.365

InChIKey:
BSLQAMHWSCLYDY-UHFFFAOYSA-N

ID: 134978

SMILES:
C(C=C(C)CCC=C(C)C(=O)CC=C(C)C)c1c(CCCCC)cc(O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -11.84

InChIKey:
MMCXWMYVDJURMR-UHFFFAOYSA-N

ID: 134979

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(CC=C(C)C)C(C)(C)C(C(=O)c3ccccc3)(O)C1(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.667

CB1 binding score: -17.288

InChIKey:
VBGKORGXCOEDQZ-UHFFFAOYSA-N

ID: 134980

SMILES:
c12ccc(CCC(C(=O)C)C)cc1OC(C)(CCC=C(CO)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.806

InChIKey:
LBDPSGBYBARPDA-UHFFFAOYSA-N

ID: 134981

SMILES:
C(=C)(C1Oc2c(c(O)cc(CCC)c2)C=CC(C)(CCC=C(C)C)O1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.418

InChIKey:
YSJAHPFBYUCADQ-UHFFFAOYSA-N

ID: 134982

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.374

InChIKey:
FYEVCSFOWVVFOK-UHFFFAOYSA-N

ID: 134983

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 134984

SMILES:
C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 134985

SMILES:
C(c1nc2c(cc(O)c(C(CCC)=O)c2)c2c1C1C(C(C)(C)O2)CCC(C)=C1)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 421.581

CB1 binding score: -17.516

InChIKey:
GNEPGURYXBDLFL-UHFFFAOYSA-N

ID: 134986

SMILES:
c1(CCC(C)=O)ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.394

CB1 binding score: -15.302

InChIKey:
VJKTXLRROQMKNQ-UHFFFAOYSA-N

ID: 134987

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 134988

SMILES:
c1(CC2=CC(=O)CCC2C(C)C)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -11.799

InChIKey:
ALBZQNOUJSVGST-UHFFFAOYSA-N

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134968–134988 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