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Molecule Identifiers
Molecular Properties

ID: 130999

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 131000

SMILES:
C1C2C(C)(CC=C3C(C)(C)Oc4cc(C)cc(c42)CC=C1C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -15.706

InChIKey:
SWETVGVZYQOOIY-UHFFFAOYSA-N

ID: 131001

SMILES:
O=C(C)OC1C2(C)OC(C(C)C)(CC2)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -13.729

InChIKey:
UHCISOXBMZSCOE-UHFFFAOYSA-N

ID: 131002

SMILES:
C(Cc1cc(O)c2c(c1)OC(C(=O)C)(C)CC2)CCC(O)CC1OC(C)(C)C(O)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.573

CB1 binding score: -14.553

InChIKey:
SBLAZANGHBBEDF-UHFFFAOYSA-N

ID: 131003

SMILES:
c1(OC)cc(CC(O)C2CC(CC(CCC=C(C)C)=C)OC2=O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -13.226

InChIKey:
DGJBIKRXRDESNT-UHFFFAOYSA-N

ID: 131004

SMILES:
C1(C)(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 131005

SMILES:
C(CC=C(C)C)C1(C)C2Oc3c(c(O)cc(CCCCC)c3)C1C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.782

InChIKey:
BPVDNNGPWFBSJR-UHFFFAOYSA-N

ID: 131006

SMILES:
C(C)(C1C(OC(c2ccc(O)c(OC)c2)=O)CC(C)=CC1c1c(O)cc(CCCCC)cc1)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.737

CB1 binding score: -12.328

InChIKey:
JGRXHOIYXCQBSV-UHFFFAOYSA-N

ID: 131007

SMILES:
C12C(C)(C)Oc3c(c(OC)c4cc(OC)cc(C)c4c3C1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -14.605

InChIKey:
ZTLJFWDEISVFCB-UHFFFAOYSA-N

ID: 131008

SMILES:
C(C)(=O)OC1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.015

InChIKey:
KRMGHBIHTAJMCB-UHFFFAOYSA-N

ID: 131009

SMILES:
C1(CO)=CC2c3c(O)cc(CCCCC)cc3OC2(C)CC=C(C(C)CCC=C(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -14.035

InChIKey:
CINDUWPOTBEDHH-UHFFFAOYSA-N

ID: 131010

SMILES:
c1(CCCCC)cc2c(c(O)c1)C=CC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 131011

SMILES:
OC1(C)CCC2Oc3cc(CCCCC)cc(O)c3C2C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.957

InChIKey:
MGVUAELZILVREN-UHFFFAOYSA-N

ID: 131012

SMILES:
Cc1c(OC)cc(OC)cc1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.929

InChIKey:
PWVZSFIVLPRFNR-UHFFFAOYSA-N

ID: 131013

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c2c(c1)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.541

InChIKey:
LETQPADZPLEXPZ-UHFFFAOYSA-N

ID: 131014

SMILES:
C1C2C(=O)OC(CC3(C)OC3c3cc(C(O)=O)c(CCCC)cc3OC)C2=C(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -14.625

InChIKey:
UGUAEAUGTIQWAX-UHFFFAOYSA-N

ID: 131015

SMILES:
C1(C(C)=C)C(c2cc(CCCCC)cc(OC)c2CC=C(C)C)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.643

CB1 binding score: -15.942

InChIKey:
HEEMZXGAMXEUQR-UHFFFAOYSA-N

ID: 131016

SMILES:
C(CCc1cc(O)c(CC2C(C)(C)C(O)CCC2=C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.223

InChIKey:
OCBMAPUXUYIMDH-UHFFFAOYSA-N

ID: 131017

SMILES:
C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 131018

SMILES:
C12C(c3c(O)cc(C(C)C(C(CC)C)O)cc3O)(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -19.376

InChIKey:
CTZYAAMQEAHQMD-UHFFFAOYSA-N

ID: 131019

SMILES:
c12c(cc(O)c(CCOC)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.379

InChIKey:
NVIBWWDFWWIQSO-UHFFFAOYSA-N

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130999–131019 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