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Molecule Identifiers
Molecular Properties

ID: 94984

SMILES:
C1C(C)C2=C(c3c(cc(C)cc3O)OC2(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -15.858

InChIKey:
HCFRRYVZDQRHOJ-UHFFFAOYSA-N

ID: 94985

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C=C2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -17.24

InChIKey:
YULOTQRFXFPRIH-UHFFFAOYSA-N

ID: 94986

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(CCCCC)c(O)c(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.996

InChIKey:
XXGMIHXASFDFSM-UHFFFAOYSA-N

ID: 94987

SMILES:
C(C)c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -17.496

InChIKey:
PIHQRXHMIQRSRT-UHFFFAOYSA-N

ID: 94988

SMILES:
C1C(C)=CC2C(C1)C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -19.258

InChIKey:
DYHMKBLKWFFFSZ-UHFFFAOYSA-N

ID: 94989

SMILES:
C(CCC)CCc1c(O)cc2c(c1O)C1C(C(C)=C)CCC(C)(CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.057

InChIKey:
SNCSNWKIRIIYTN-UHFFFAOYSA-N

ID: 94990

SMILES:
c1(OC)c2c(c(O)c(CCC=CC)c1C)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.12

InChIKey:
VVYGYZNTZJMHPL-UHFFFAOYSA-N

ID: 94991

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.046

InChIKey:
MXECOWWPQRFPTG-UHFFFAOYSA-N

ID: 94992

SMILES:
C1(C)(C)Oc2c(c(O)c(CCCCC)cc2O)C2C1CCC1(C)C(O1)CCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.084

InChIKey:
NVIVNRMFPNCXIA-UHFFFAOYSA-N

ID: 94993

SMILES:
C1=C(C)CC2C(C(O)C1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.929

InChIKey:
KXVFJSLZIXJJNE-UHFFFAOYSA-N

ID: 94994

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 94995

SMILES:
O(c1cc(C)cc(O)c1C1C(C(=C)C)CCC(C)C1)CCSC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.525

CB1 binding score: -16.331

InChIKey:
LEFKZWUMDOCHBD-UHFFFAOYSA-N

ID: 94996

SMILES:
O(C)c1cc(CCc2ccc(O)cc2)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Shikimates and Phenylpropanoids;Terpenoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 378.512

CB1 binding score: -16.502

InChIKey:
RLUZBCZEGCGKRU-UHFFFAOYSA-N

ID: 94997

SMILES:
C1(=C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3C=O)C2C=C1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -14.745

InChIKey:
SRGMTQCHGOVDOF-UHFFFAOYSA-N

ID: 94998

SMILES:
C1(C)(C)OC(=O)C2(C)C(=O)C3C1c1c(cc(CCCCC)cc1O3)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -15.512

InChIKey:
IEQWEYJPZKAEJX-UHFFFAOYSA-N

ID: 94999

SMILES:
c1(C)cc(O)c2c(c1)OC1(C)CCC2C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.163

InChIKey:
PFOOLVCRGKJKJB-UHFFFAOYSA-N

ID: 95000

SMILES:
O1C(CC(=CCc2c(C(O)=O)c(O)cc(CCCCC(=O)O)c2)C)(C)CC=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -11.814

InChIKey:
VDLKDMMJOWGDRE-UHFFFAOYSA-N

ID: 95001

SMILES:
C1(C)=CC(c2c(O)cc(C)cc2O)C(C(=C)C)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.308

InChIKey:
WESLCJINYSXLCN-UHFFFAOYSA-N

ID: 95002

SMILES:
C1(=O)C(=C(C)C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C(O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -15.483

InChIKey:
UFGAKFMYMBBOHF-UHFFFAOYSA-N

ID: 95003

SMILES:
C1(OC)C23C4c5c(cc(CCC)cc5O)OC4OC2OC(=O)CC3C(C(OC)=O)=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.426

CB1 binding score: -15.699

InChIKey:
ZDOJDEODUSXKAJ-UHFFFAOYSA-N

ID: 95004

SMILES:
CC1(C)C(C(CC2(C)Oc3c(O)cc(CCCC)cc3O2)=O)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.364

InChIKey:
FJDKQRJZCXSUMH-UHFFFAOYSA-N

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94984–95004 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