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Molecule Identifiers
Molecular Properties

ID: 136963

SMILES:
C(=C(C)C)COC(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -18.803

InChIKey:
FPMPSZBCJNJTSD-UHFFFAOYSA-N

ID: 136964

SMILES:
C1CC(C)CC(c2c(O)cc(CCC)cc2O)C1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 136965

SMILES:
Oc1c(OC)c(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc1CCc1cccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -17.214

InChIKey:
IZENEOFOQPPAFA-UHFFFAOYSA-N

ID: 136966

SMILES:
C(c1ccc(O)c(OCC2C(CCC=C(C)C)(C)CC=C(C)CC2)c1)CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.658

CB1 binding score: -15.523

InChIKey:
HIPAIFRWJMBJJP-UHFFFAOYSA-N

ID: 136967

SMILES:
CC(CC1=CC(O)C(=O)C(C)(C)C1)=CC(C)=C1OC(c2c(O)cc(O)cc2C)CC1CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -12.205

InChIKey:
YMAMJOGAKCKQKN-UHFFFAOYSA-N

ID: 136968

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.51

InChIKey:
AYPBHMRAUFVHTC-UHFFFAOYSA-N

ID: 136969

SMILES:
C1(C(c2c(O)c(C3C=C(C)CCC3C(C)=C)cc(O)c2)C)C=C(C)C(=O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -13.39

InChIKey:
QTMNCLYTJARFRT-UHFFFAOYSA-N

ID: 136970

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(C=O)c2c1OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -12.31

InChIKey:
LNVNCSUONXOLGD-UHFFFAOYSA-N

ID: 136971

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CO)c1CCCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.535

InChIKey:
CJLPVMZSXBFPBY-UHFFFAOYSA-N

ID: 136972

SMILES:
Oc1cc(C)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 136973

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -20.193

InChIKey:
JBVDVYKKJWEHPH-UHFFFAOYSA-N

ID: 136974

SMILES:
C1CC2C(C)(C)Oc3cc(CCCC)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 136975

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1=CC(=O)C(C)=CC1=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -15.351

InChIKey:
GQBQRFXWEUONRU-UHFFFAOYSA-N

ID: 136976

SMILES:
C1CC(C(C)=C)C(c2ccc(CCCCC)cc2)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.471

CB1 binding score: -19.804

InChIKey:
VGBLUPCGCQUYRW-UHFFFAOYSA-N

ID: 136977

SMILES:
CC(CC)C(c1cc(O)c2c(c1)OC(C)(C)C=C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -14.862

InChIKey:
LVZBQJRWCZAODE-UHFFFAOYSA-N

ID: 136978

SMILES:
C12Oc3c(c(O)cc(CCCCC)c3)C1(O)C(OC)C(OC(C)=O)CC2(O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.464

CB1 binding score: -14.085

InChIKey:
LHBWDXKESGEOGJ-UHFFFAOYSA-N

ID: 136979

SMILES:
C(Cc1cc(Oc2c(O)c3c(c(C)c2)OC3(C)C)cc(OC)c1)CCC

Pathway: Polyketides

Superclass: Meroterpenoids;Diphenyl ethers (DPEs)

Class: Cannabinoids;Fungal DPEs

MW: 356.462

CB1 binding score: Not available

InChIKey:
OQXPBYZMFQTPIB-UHFFFAOYSA-N

ID: 136980

SMILES:
Cc1c(OC)cc2c(c1)-c1c(O)c(OC(=O)C)c(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -15.308

InChIKey:
BSZSDIXVVYGIIU-UHFFFAOYSA-N

ID: 136981

SMILES:
C1=CC2=C(c3c(O)cc(C)cc3OC(C)(C)C2)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -15.374

InChIKey:
GBWCJDDIHOLDOP-UHFFFAOYSA-N

ID: 136982

SMILES:
c1(C(CO)(CO)O)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(=O)OC)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.421

CB1 binding score: -15.802

InChIKey:
PTEVHBAEQRZVKN-UHFFFAOYSA-N

ID: 136983

SMILES:
C1C(C(C)=C)C(c2c(OC)cc(O)cc2O)C(C(=C)C)C(c2cc(CCCCC)cc(O)c2)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -13.072

InChIKey:
ZIUFINHQMXGWQO-UHFFFAOYSA-N

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136963–136983 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