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Molecule Identifiers
Molecular Properties

ID: 118945

SMILES:
c1(CC(C(O)(C)C)O)ccc(C2CC=C(C)C(O)CC2C(=C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -11.194

InChIKey:
KYSMFXOBVFFDLL-UHFFFAOYSA-N

ID: 118946

SMILES:
C(C)(C1C(O)CC(O)(C)C2Oc3cc(CCCCC)cc(O)c3C12)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.929

InChIKey:
ZJVRSBQUBBOMIG-UHFFFAOYSA-N

ID: 118947

SMILES:
CCCCc1cc(O)c2c(c1)OC(=C)c1c2C(=O)C2C(C3C(C)CC(=O)C3C(=C(C)C)CC2C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.613

CB1 binding score: -16.786

InChIKey:
PSWVJEBNDREECW-UHFFFAOYSA-N

ID: 118948

SMILES:
Oc1c(C(=O)O)c(OC)c2c(c1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.266

InChIKey:
BWBQZIXVKNVOIE-UHFFFAOYSA-N

ID: 118949

SMILES:
O1c2cc(O)cc(CCCCC)c2CC1C(C)(O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -17.089

InChIKey:
KQLMIIJOORRJFS-UHFFFAOYSA-N

ID: 118950

SMILES:
C12C(CC=C1C)C(C(O)=O)=CC1C2C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -11.957

InChIKey:
YRNHNPQPBGQGLI-UHFFFAOYSA-N

ID: 118951

SMILES:
C1C(C)=CC(O)C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -12.702

InChIKey:
GMDNQMHQVURQAK-UHFFFAOYSA-N

ID: 118952

SMILES:
Oc1cc(CCCCC)cc(O)c1C1=C(C)CCCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.194

InChIKey:
PWPAIRYTSFVVSF-UHFFFAOYSA-N

ID: 118953

SMILES:
CC1(C)Oc2cc(O)c3c(c2CC2C(C)(CC4(O)OC(=O)C(C)=C4)C)C(C)=CCC13C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -13.992

InChIKey:
YOIZNPNRFIZXKR-UHFFFAOYSA-N

ID: 118954

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC1(O)CCC(C(C)=O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -12.506

InChIKey:
KORGEHMAOIJGCD-UHFFFAOYSA-N

ID: 118955

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -18.309

InChIKey:
KQWJMEAIWXADAY-UHFFFAOYSA-N

ID: 118956

SMILES:
C12CCC(CO)=CC1c1c(O)cc(CCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.9

InChIKey:
UWBCYGUAEGZJRC-UHFFFAOYSA-N

ID: 118957

SMILES:
C(C(C)C)Oc1c(O)c2c(cc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.599

InChIKey:
CGGUHFYZBWTTED-UHFFFAOYSA-N

ID: 118958

SMILES:
Cc1c(C=O)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.241

InChIKey:
ZRENVVUZARSAET-UHFFFAOYSA-N

ID: 118959

SMILES:
Oc1c(CC=C(CCC(O)C(O)(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.499

CB1 binding score: -18.15

InChIKey:
OWSPBIWYEIHDKZ-UHFFFAOYSA-N

ID: 118960

SMILES:
O=C(c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.717

InChIKey:
JEXJLYDVFFARRG-UHFFFAOYSA-N

ID: 118961

SMILES:
O=C1OCC23C(C=C(C)CC2)C12Oc1c(c(O)cc(C)c1)C(C3=O)C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.429

CB1 binding score: -15.772

InChIKey:
YBEVSTRDNGYPRE-UHFFFAOYSA-N

ID: 118962

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 118963

SMILES:
CC1(COCC(O)(C2OC(CO)C(O)C(O)C2O)C)C(O)Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.585

CB1 binding score: -15.018

InChIKey:
OJDSBVDRCDTXJE-UHFFFAOYSA-N

ID: 118964

SMILES:
c12cc(CCCCC)ccc1OC(C)(C)C1CC(O)C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.254

InChIKey:
PNLINWAFWMIQJR-UHFFFAOYSA-N

ID: 118965

SMILES:
CCCCCCc1ccc(O)c2c1OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.527

InChIKey:
JKTDKAQAYOTEPC-UHFFFAOYSA-N

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118945–118965 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