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Molecule Identifiers
Molecular Properties

ID: 126967

SMILES:
C1(C)(C)Oc2cc(C(C=C)(C)C)cc(O)c2C(CO)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -14.605

InChIKey:
UMRDWCOYOQPOPO-UHFFFAOYSA-N

ID: 126968

SMILES:
C1C(C)(O)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 126969

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -17.792

InChIKey:
IYHHISBMYUVEMX-UHFFFAOYSA-N

ID: 126970

SMILES:
C12C(C(=O)C(C)=CC1)c1c(cc(C)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.439

InChIKey:
NXWXGRHVAFTVMW-UHFFFAOYSA-N

ID: 126971

SMILES:
c1c(O)ccc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -17.529

InChIKey:
WQXFMLNUWABCFK-UHFFFAOYSA-N

ID: 126972

SMILES:
Oc1cc(CCCCCC)cc2c1c1c(cc2)OC(C)(C)C2CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -16.695

InChIKey:
PNQQULDFZHYZQL-UHFFFAOYSA-N

ID: 126973

SMILES:
C1(C)CCc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -17.812

InChIKey:
MGEGNKXUIQHAJB-UHFFFAOYSA-N

ID: 126974

SMILES:
C1C(C(=C)CC=CC(C)(C)O)C2C(c3c(O)cc(CCCCC)cc3O2)CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -16.44

InChIKey:
CKASFNAQZVEMLQ-UHFFFAOYSA-N

ID: 126975

SMILES:
c1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C(=O)OC)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.259

InChIKey:
PHKDZPWLMLWWLJ-UHFFFAOYSA-N

ID: 126976

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 126977

SMILES:
c12c3coc1c(O)c(CCCCC)cc2OC(C)(CCC=C(C)C)C(O)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.257

InChIKey:
DVTBEPMVHNBWBY-UHFFFAOYSA-N

ID: 126978

SMILES:
C1CC2C(C=C(C)C1)c1c(cc(CCC(=O)C=CCC)cc1OC)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -14.044

InChIKey:
PECPULVKEVNLBG-UHFFFAOYSA-N

ID: 126979

SMILES:
CC1CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2OC)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -15.548

InChIKey:
QQQKZJHZMHFSOL-UHFFFAOYSA-N

ID: 126980

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(O)(CC(=O)C1=C)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.137

InChIKey:
ULBFHRGSVIECIF-UHFFFAOYSA-N

ID: 126981

SMILES:
C(C)(C)C1C(c2c(O)cc(CCC)cc2O)CC(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 126982

SMILES:
Oc1c(O)c2c(cc1CCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.532

InChIKey:
LLRWEJCFJKNAIF-UHFFFAOYSA-N

ID: 126983

SMILES:
C1(C)(C)C(O)CCC(CO)(O)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.471

CB1 binding score: -12.662

InChIKey:
ZQTCUUAUFFIWOS-UHFFFAOYSA-N

ID: 126984

SMILES:
C12(C)OC3CC1C(C)(C)Oc1cc(CCCCC)cc(O)c1C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -10.464

InChIKey:
CWUWIVWJAITZBO-UHFFFAOYSA-N

ID: 126985

SMILES:
c1(O)cc(CCc2cc(O)cc(OC)c2)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -15.929

InChIKey:
DDMMGHWGYDGFMH-UHFFFAOYSA-N

ID: 126986

SMILES:
c1(O)c2c(c(CC(O)C)cc1OC)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -17.739

InChIKey:
WMLQCPNVHNVCOM-UHFFFAOYSA-N

ID: 126987

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C(C)=C)CCC1(OO)C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -16.948

InChIKey:
LUGFJJHKBRUIQG-UHFFFAOYSA-N

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126967–126987 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