ITCMDBv1
IngredientID 5807

Lophenol

C28H48O

Back to Browse

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: 9Ingredient: 1Target: 8Links: 17
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
5807
Core Entity Id
9642
Source Entity Count
1
Preferred Name
Lophenol
Name En
Pubchem Id
160482
Smiles Canonical
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@@]([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([ H])([H])[H])C([H])([H])C2([H])[H])[C@]23[H])[C@@]3([H])C([H])([H])C4([H])[H])[C@]4([H])C([H])([H])[C@@]1([H])O[H]
Molecular Formula
C28H48O
Molecular Weight
400.6910
Inchikey
LMYZQUNLYGJIHI-SPONXPENSA-N
Inchi
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1
Isomeric Smiles
C[C@@H]1[C@H](CC[C@]2([C@H]1CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C)O
Cas Id
Ob Score
38.1290
Mol Logp
7.6347
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
5
Drug Likeness
0.4700
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
4-methylcholest-7-en-3-ol; (3beta,4alpha,5alpha)-form
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-methylcholest-7-en-3-ol; (3beta,4alpha,5alpha)-form
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4alpha-methyl-cholest-7-en-3beta-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4alpha-methyl-cholest-7-en-3beta-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lophenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lophenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lophenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lophenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lophenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
剑叶龙血树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAN YE LONG XUE SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Swordleaf Dracaena
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methylcholest-7-en-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methylcholest-7-en-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
481-25-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
481-25-4
Role
alias
Source
HERB_v2
Preferred
No
Name
4alpha-Methyl-5alpha-cholest-7-en-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
4alpha-Methyl-5alpha-cholest-7-en-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4alpha-methyl-cholest-7-en-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
4alpha-methyl-cholest-7-en-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cholest-7-en-3-ol, 4-methyl-, (3.beta.,4.alpha.,5.alpha.)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cholest-7-en-3-ol, 4-methyl-, (3.beta.,4.alpha.,5.alpha.)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Lophenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Lophenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-X4BL075LYS
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-X4BL075LYS
Role
alias
Source
itcmdb_public
Preferred
No
Name
X4BL075LYS
Role
alias
Source
HERB_v2
Preferred
No
Name
X4BL075LYS
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

4-methylcholest-7-en-3-ol; (3beta,4alpha,5alpha)-form4alpha-methyl-cholest-7-en-3beta-ol剑叶龙血树JIAN YE LONG XUE SHUSwordleaf Dracaena(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol4-Methylcholest-7-en-3-ol481-25-44alpha-Methyl-5alpha-cholest-7-en-3beta-olCholest-7-en-3-ol, 4-methyl-, (3.beta.,4.alpha.,5.alpha.)-UNII-X4BL075LYSX4BL075LYS

Cross References

Trusted external identifiers retained for this final record.

Cas
481-25-4
Herb
HBIN010208HBIN010687HBIN033560
Npass
NPC171566NPC211492
Tcmid
1422831462
Tcmsp
MOL009639
Sym Map
SMIT10739SMIT19316
Tcm Id
7775
Pub Chem
16048250990062
Tcmbank
TCMBANKIN011287TCMBANKIN060312
Etcm Ingredient
Lophenol
Itcmdb Generated
ITX-INGREDIENT-763E612300E2ITX-INGREDIENT-7A4A05EA17DF

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1
Mol Wt
400.6910000000002
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@@]([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([ H])([H])[H])C([H])([H])C2([H])[H])[C@]23[H])[C@@]3([H])C([H])([H])C4([H])[H])[C@]4([H])C([H])([H])[C@@]1([H])O[H]CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCCC(C)C)C)C)O
Mol Log P
7.634700000000009
Version
v1,v2
In Ch Ikey
LMYZQUNLYGJIHI-SPONXPENSA-N
Ob Score
38.12938.1294025238.129403
Suppress
1
Tcm Name
剑叶龙血树
Tcm Name2
JIAN YE LONG XUE SHU
Mol2 Path
/TCM_database/2003_3d_all/4974.mol2
Reference
616
Num Hdonors
1
Tcm Name En
Swordleaf Dracaena
Drug Likeness
0.47
Num Hacceptors
1
Isomeric Smiles
C[C@@H]1[C@H](CC[C@]2([C@H]1CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C)O
Molecule Weight
400.76
Canonical Smiles
CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCCC(C)C)C)C)O
Herb Alias Names
Lophenol481-25-44alpha-Methyl-5alpha-cholest-7-en-3beta-ol4-Methylcholest-7-en-3-olX4BL075LYS(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCholest-7-en-3-ol, 4-methyl-, (3.beta.,4.alpha.,5.alpha.)-(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olUNII-X4BL075LYS
Molecular Weight
400.370
Molecular Weight
400.68
Molecular Formula
C28H48O
Molecular Formula
C28H48O
Molecular Formula
C28H48O
Num Rotatable Bonds
5
Link Ingredient Id
10739.0
Fda Maximum Daily Dose (Fdamdd)
0.958
Quantitative Estimate Of Drug Likeness（Qed）
0.485