Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13523
- Core Entity Id
- 18200
- Source Entity Count
- 1
- Preferred Name
- Camelliagenin a
- Name En
- Pubchem Id
- 12302281
- Smiles Canonical
- CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C)O)C)C
- Molecular Formula
- C30H50O4
- Molecular Weight
- 474.7260
- Inchikey
- CTNHZEZBBGIUJB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3
- Isomeric Smiles
- CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.0829
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Camelliagenin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Camelliagenin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Camelliagenin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
camelliagenin a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:175743
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:175743
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chichipegenin
Role
alias
Source
HERB_v2
Preferred
No
Name
Chichipegenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Olean-12-ene-3,16,22,28-tetrol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
Olean-12-ene-3,16,22,28-tetrol #
Role
alias
Source
HERB_v2
Preferred
No
Name
Olean-12-ene-3,16,22,28-tetrol, (3.beta.,16.beta.,22.alpha.)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Olean-12-ene-3,16,22,28-tetrol, (3.beta.,16.beta.,22.alpha.)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Olean-12-ene-3.beta.,16.beta.,22.alpha.,28-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
Olean-12-ene-3beta,16beta,22alpha,28-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Theasapogenin I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Theasapogenin I
Role
alias
Source
HERB_v2
Preferred
No
Name
theasapogenol D
Role
alias
Source
HERB_v2
Preferred
No
Name
theasapogenol D
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triolCHEBI:175743ChichipegeninOlean-12-ene-3,16,22,28-tetrol #Olean-12-ene-3,16,22,28-tetrol, (3.beta.,16.beta.,22.alpha.)-Olean-12-ene-3.beta.,16.beta.,22.alpha.,28-tetrolOlean-12-ene-3beta,16beta,22alpha,28-tetrolTheasapogenin Itheasapogenol D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019459
Npass
NPC311078
Tcmid
3030
Pub Chem
12302281612548
Tcmbank
TCMBANKIN025216
Etcm Ingredient
Camelliagenin A
Itcmdb Generated
ITX-INGREDIENT-F627DA342394
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3
Mol Wt
474.7260000000002
Smiles
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C)O)C)C
Mol Log P
5.082900000000007
In Ch Ikey
CTNHZEZBBGIUJB-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.399
Num Hacceptors
4
Isomeric Smiles
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C)O)C)C
Canonical Smiles
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C)O)C)C
Herb Alias Names
Chichipegenin8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-trioltheasapogenol DOlean-12-ene-3.beta.,16.beta.,22.alpha.,28-tetrolOlean-12-ene-3,16,22,28-tetrol, (3.beta.,16.beta.,22.alpha.)-Theasapogenin ICHEBI:175743Olean-12-ene-3,16,22,28-tetrol #Olean-12-ene-3beta,16beta,22alpha,28-tetrol
Molecular Weight
474.370
Molecular Weight
474.7 g/mol
Molecular Formula
C30H50O4
Molecular Formula
C30H50O4
Molecular Formula
C30H50O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.670
Quantitative Estimate Of Drug Likeness（Qed）
0.399