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Molecule Identifiers
Molecular Properties

ID: 52963

SMILES:
C1(c2c(O)cc(CCCC)cc2O)C(C(C)=C)CO1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -15.98

InChIKey:
KSKUJQXVUMKVIK-UHFFFAOYSA-N

ID: 52964

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(C)=C)CCC(CO)=C2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.742

InChIKey:
VNRLFKGINFBEHO-UHFFFAOYSA-N

ID: 52965

SMILES:
C(C)(=CCc1c(CCCCCC)cc2c(c1O)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -16.527

InChIKey:
FAKZSZOMEBRTCF-UHFFFAOYSA-N

ID: 52966

SMILES:
C12CC3=C(C(=O)OC4CC(C(=C)C)CC34C1=O)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.494

CB1 binding score: -15.999

InChIKey:
UAYWLECPNFIFHM-UHFFFAOYSA-N

ID: 52967

SMILES:
C(Cc1c(O)cc(CCCCC)c(C(=O)OC(C)CC)c1O)=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -14.907

InChIKey:
TXNWNVMNNDXQHV-UHFFFAOYSA-N

ID: 52968

SMILES:
c1c(O)c(C2C=C(C)CCC2C(C)=C)cc(C([N])=O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 269.344

CB1 binding score: -16.052

InChIKey:
UHDQSSXXMRWRFF-UHFFFAOYSA-N

ID: 52969

SMILES:
CCCCCCCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -14.544

InChIKey:
FBMBPSVOJZBSAG-UHFFFAOYSA-N

ID: 52970

SMILES:
O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.823

InChIKey:
GRLARWXSTOXAGR-UHFFFAOYSA-N

ID: 52971

SMILES:
C12C(C)(CCC(C(C)C)C1C=CC(C)C)Oc1c(c(O)cc(CCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -12.959

InChIKey:
YAAZMEYODMCQSN-UHFFFAOYSA-N

ID: 52972

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1CC(CO)=CCC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.967

InChIKey:
SRNVVTGTXBIPPX-UHFFFAOYSA-N

ID: 52973

SMILES:
C(CCCCCC)CCCCC(OCc1cc(O)c2c(c1)OC(C)(C)C=C2)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -14.641

InChIKey:
AVJLNROMAFHZLI-UHFFFAOYSA-N

ID: 52974

SMILES:
c12cc(CCCCC)cc(O)c1C1C(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.819

InChIKey:
KAMBAVCQZNPQOI-UHFFFAOYSA-N

ID: 52975

SMILES:
CC1=CC(c2c(O)c(C(=O)O)c(CCCCC)cc2O)CC(C)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.896

InChIKey:
YTMGDMNIEFZAMT-UHFFFAOYSA-N

ID: 52976

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 52977

SMILES:
C1(C2CC(O)C(O)C(C)(C)O2)(C)Oc2c(c(CCCCC)cc(O)c2)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -17.228

InChIKey:
KAXDHIXVYDFOOZ-UHFFFAOYSA-N

ID: 52978

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.824

InChIKey:
SMPCYDQBPWBEGO-UHFFFAOYSA-N

ID: 52979

SMILES:
c1(O)c2c(c(C(=O)O)c(O)c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -15.929

InChIKey:
QUVZHABNVUYDDK-UHFFFAOYSA-N

ID: 52980

SMILES:
C(C)(C)=Cc1c2c(cc(C)c1-c1c(O)cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.685

CB1 binding score: -13.861

InChIKey:
YCRDPFHBGLEHBS-UHFFFAOYSA-N

ID: 52981

SMILES:
CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.588

InChIKey:
JZEQHRTZXSCBRS-UHFFFAOYSA-N

ID: 52982

SMILES:
C(CCCc1cc(C2C=C(C)CCC2C(=C)C)oc1-c1ccc(O)cc1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.529

CB1 binding score: -16.246

InChIKey:
OARNUZRCLSEUDX-UHFFFAOYSA-N

ID: 52983

SMILES:
CC1(C)NC(C)C2(CC(C)=CCC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 357.538

CB1 binding score: -13.478

InChIKey:
HPUITFYBYDOQOG-UHFFFAOYSA-N

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52963–52983 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