IngredientID 18249

Friedelan

C30H52O

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 12Ingredient: 1Target: 5Links: 17

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 18249
Core Entity Id: 23461
Source Entity Count: 1
Preferred Name: Friedelan
Name En
Pubchem Id: 101341
Smiles Canonical: CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O
Molecular Formula: C30H52O
Molecular Weight: 428.7450
Inchikey: XCDQFROEGGNAER-PFOIMGGJSA-N
Inchi: InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3
Isomeric Smiles: CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O
Cas Id: 16844-71-6
Ob Score: 11.2800
Mol Logp: 8.2488
Num H Donors: 1
Num H Acceptors: 1
Num Rotatable Bonds: 0
Drug Likeness: 0.4120
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Epifriedelanol

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Friedelanol

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

16844-71-6

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

16844-71-6

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

16844-71-6

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Epifriedelanol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Epifriedelanol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Epifriedelanol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Epifriedelanol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

FRIEDELAN-3ALPHA-OL

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Friedelan

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Friedelan

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Friedelan-3alpha-ol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Friedelan-3alpha-ol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Friedelanol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Friedelanol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Friedelanol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Friedelanol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

friedelinol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(3R,4R,4AS,6AS,6BR,8AR,12AR,12BS,14AS,14BS)-4,4A,6B,8A,11,11,12B,14A-OCTAMETHYL-HEXADECAHYDROPICEN-3-OL

Role

alias

Source

SymMap_v2

Preferred

Name

(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

Role

alias

Source

SymMap_v2

Preferred

Name

(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

Role

alias

Source

HERB_v2

Preferred

Name

(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

Role

alias

Source

itcmdb_public

Preferred

Name

(3R,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyldocosahydropicen-3-ol

Role

alias

Source

SymMap_v2

Preferred

Name

(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

Role

alias

Source

HERB_v2

Preferred

Name

(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

Role

alias

Source

itcmdb_public

Preferred

Name

16844-71-6

Role

alias

Source

itcmdb_public

Preferred

Name

16844-71-6

Role

alias

Source

HERB_v2

Preferred

Name

24,25,26-Trinoroleanan-3-ol, 5,9,13-trimethyl-, (3beta,4beta,5beta,8alpha,9beta,10alpha,13alpha,14beta)-

Role

alias

Source

itcmdb_public

Preferred

Name

24,25,26-Trinoroleanan-3-ol, 5,9,13-trimethyl-, (3beta,4beta,5beta,8alpha,9beta,10alpha,13alpha,14beta)-

Role

alias

Source

HERB_v2

Preferred

Name

3Alpha-Hydroxyfriedelane

Role

alias

Source

SymMap_v2

Preferred

Name

3Beta-Friedelanol

Role

alias

Source

HERB_v2

Preferred

Name

3Beta-Friedelanol

Role

alias

Source

itcmdb_public

Preferred

Name

5085-72-3

Role

alias

Source

HERB_v2

Preferred

Name

5085-72-3

Role

alias

Source

SymMap_v2

Preferred

Name

5085-72-3

Role

alias

Source

itcmdb_public

Preferred

Name

A-ol

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L2QMS

Role

alias

Source

SymMap_v2

Preferred

Name

AC1Q59MV

Role

alias

Source

SymMap_v2

Preferred

Name

BG01137829

Role

alias

Source

SymMap_v2

Preferred

Name

CHEBI:80941

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:80941

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL229563

Role

alias

Source

SymMap_v2

Preferred

Name

D:A-Friedooleanan-3-ol, (3.alpha.)-

Role

alias

Source

itcmdb_public

Preferred

Name

D:A-Friedooleanan-3-ol, (3alpha)-

Role

alias

Source

HERB_v2

Preferred

Name

D:A-Friedooleanan-3-ol, (3alpha)- (9CI)

Role

alias

Source

SymMap_v2

Preferred

Name

D:A-Friedooleanan-3.alpha.-ol

Role

alias

Source

itcmdb_public

Preferred

Name

D:A-Friedooleanan-3alpha-ol

Role

alias

Source

HERB_v2

Preferred

Name

D:A-Friedooleanan-3alpha-ol (8CI)

Role

alias

Source

SymMap_v2

Preferred

Name

Epi-Friedelanol

Role

alias

Source

itcmdb_public

Preferred

Name

Epifriedelanol

Role

alias

Source

HERB_v2

Preferred

Name

Epifriedelinol

Role

alias

Source

HERB_v2

Preferred

Name

Epifriedelinol

Role

alias

Source

itcmdb_public

Preferred

Name

Epifriendelanol

Role

alias

Source

HERB_v2

Preferred

Name

Epifriendelanol

Role

alias

Source

itcmdb_public

Preferred

Name

Friedelan-3-ol

Role

alias

Source

HERB_v2

Preferred

Name

Friedelan-3-ol

Role

alias

Source

itcmdb_public

Preferred

Name

Friedelan-3.alpha.-ol

Role

alias

Source

HERB_v2

Preferred

Name

Friedelan-3.alpha.-ol

Role

alias

Source

itcmdb_public

Preferred

Name

Friedelan-3alpha-ol

Role

alias

Source

SymMap_v2

Preferred

Name

Friedelan-3beta-ol

Role

alias

Source

itcmdb_public

Preferred

Name

Friedelan-3beta-ol

Role

alias

Source

HERB_v2

Preferred

Name

Friedelanol

Role

alias

Source

HERB_v2

Preferred

Name

Friedelanol

Role

alias

Source

itcmdb_public

Preferred

Name

Friedelanol

Role

alias

Source

SymMap_v2

Preferred

Name

Friedelinol

Role

alias

Source

SymMap_v2

Preferred

Name

Friedelinol

Role

alias

Source

itcmdb_public

Preferred

Name

Friedelinol

Role

alias

Source

HERB_v2

Preferred

Name

MolPort-027-720-669

Role

alias

Source

SymMap_v2

Preferred

Name

NSC 407041

Role

alias

Source

itcmdb_public

Preferred

Name

NSC 407041

Role

alias

Source

SymMap_v2

Preferred

Name

NSC407041

Role

alias

Source

HERB_v2

Preferred

Name

V1548

Role

alias

Source

SymMap_v2

Preferred

Name

XCDQFROEGGNAER-UHFFFAOYSA-N

Role

alias

Source

itcmdb_public

Preferred

Name

XCDQFROEGGNAER-UHFFFAOYSA-N

Role

alias

Source

HERB_v2

Preferred

Name

ZINC6066842

Role

alias

Source

SymMap_v2

Preferred

Name

beta-Friedelinol

Role

alias

Source

itcmdb_public

Preferred

Name

beta-Friedelinol

Role

alias

Source

HERB_v2

Preferred

Name

epi-Friedelinol

Role

alias

Source

SymMap_v2

Preferred

Name

friedelan-3

Role

alias

Source

SymMap_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

EpifriedelanolFriedelanol16844-71-6FRIEDELAN-3ALPHA-OLfriedelinol(3R,4R,4AS,6AS,6BR,8AR,12AR,12BS,14AS,14BS)-4,4A,6B,8A,11,11,12B,14A-OCTAMETHYL-HEXADECAHYDROPICEN-3-OL(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol(3R,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyldocosahydropicen-3-ol(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol24,25,26-Trinoroleanan-3-ol, 5,9,13-trimethyl-, (3beta,4beta,5beta,8alpha,9beta,10alpha,13alpha,14beta)-3Alpha-Hydroxyfriedelane3Beta-Friedelanol5085-72-3A-olAC1L2QMSAC1Q59MVBG01137829CHEBI:80941CHEMBL229563D:A-Friedooleanan-3-ol, (3.alpha.)-D:A-Friedooleanan-3-ol, (3alpha)-D:A-Friedooleanan-3-ol, (3alpha)- (9CI)D:A-Friedooleanan-3.alpha.-olD:A-Friedooleanan-3alpha-olD:A-Friedooleanan-3alpha-ol (8CI)Epi-FriedelanolEpifriedelinolEpifriendelanolFriedelan-3-olFriedelan-3.alpha.-olFriedelan-3beta-olMolPort-027-720-669NSC 407041NSC407041V1548XCDQFROEGGNAER-UHFFFAOYSA-NZINC6066842beta-Friedelinolepi-Friedelinolfriedelan-3

Cross References

Trusted external identifiers retained for this final record.

Cas

16844-71-65085-72-3

Herb

HBIN001775HBIN025338HBIN026752HBIN026756HBIN026764HBIN026767

Npass

NPC217119NPC290791NPC292419NPC36986

Tcmid

244722695630976309773234532555325563300169177949

Tcmsp

MOL000463MOL007599MOL010461

Sym Map

SMIT00776SMIT02151SMIT03062SMIT09002

Tcm Id

116054308

Pub Chem

1013411192421293168811461575541547238871607233034802976316825

Tcmbank

TCMBANKIN006239

Etcm Ingredient

EpifriedelanolFRIEDELAN-3ALPHA-OLFriedelanolepi-friedelanol

Itcmdb Generated

ITX-INGREDIENT-2978DD1FC73CITX-INGREDIENT-3C436063112EITX-INGREDIENT-69F7CF5E1B03ITX-INGREDIENT-FF1552527C64

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21+,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1

Mol Wt

428.7450000000003

Cas Id

16844-71-6

Smiles

CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O

Mol Log P

8.248800000000006

Version

v1,v2

In Ch Ikey

XCDQFROEGGNAER-PFOIMGGJSA-NXCDQFROEGGNAER-UHFFFAOYSA-NXCDQFROEGGNAER-VYFOYESCSA-N

Ob Score

11.2811.2802831225.1889462725.18927.3356874427.336

Suppress

Num Hdonors

Drug Likeness

0.412

Num Hacceptors

Isomeric Smiles

CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)OC[C@H]1[C@@H](CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C)OC[C@H]1[C@H](CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C)O

Molecule Weight

428.82

Canonical Smiles

CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O

Herb Alias Names

EpifriedelanolEpi-FriedelanolFriedelan-3beta-olEpifriedelinol(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-olCHEBI:80941beta-FriedelinolEpifriendelanol3Beta-Friedelanol

Molecular Weight

428.400

Molecular Weight

428.7 g/mol

Molecule Formula

C30H52O

Molecular Formula

C30H52O

Molecular Formula

C30H52O

Molecular Formula

C30H52O

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.0570.1110.498

Quantitative Estimate Of Drug Likeness（Qed）

0.412