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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13525
- Core Entity Id
- 18203
- Source Entity Count
- 1
- Preferred Name
- Camelliagenin c
- Name En
- Pubchem Id
- 12302286
- Smiles Canonical
- CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)CO)O)C)C
- Molecular Formula
- C30H50O5
- Molecular Weight
- 490.7250
- Inchikey
- SPCSEMLFKVZFJN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H50O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,19-24,31-35H,8-17H2,1-6H3
- Isomeric Smiles
- CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)CO)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0553
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Camelliagenin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Camelliagenin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Camelliagenin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
camelliagenin c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3S,4R,4Ar,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-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
(3S,4R,4Ar,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-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
14440-27-8
Role
alias
Source
HERB_v2
Preferred
No
Name
14440-27-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-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
4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-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:173217
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:173217
Role
alias
Source
itcmdb_public
Preferred
No
Name
Theasapogenol C
Role
alias
Source
HERB_v2
Preferred
No
Name
Theasapogenol C
Role
alias
Source
itcmdb_public
Preferred
No
Name
12-oleanene-3,16,22,23,28-pentol; (3beta,16alpha,22alpha)-form
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(3S,4R,4Ar,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol14440-27-84,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triolCHEBI:173217Theasapogenol C12-oleanene-3,16,22,23,28-pentol; (3beta,16alpha,22alpha)-form
Cross References
Trusted external identifiers retained for this final record.
Cas
14440-27-8
Herb
HBIN019461HBIN000939
Tcmid
3032
Tcm Id
9350
Pub Chem
12302286
Tcmbank
TCMBANKIN028750
Etcm Ingredient
Camelliagenin C
Itcmdb Generated
ITX-INGREDIENT-150A4325A7EE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H50O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,19-24,31-35H,8-17H2,1-6H3
Mol Wt
490.7250000000003
Smiles
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)CO)O)C)C
Mol Log P
4.055300000000004
In Ch Ikey
SPCSEMLFKVZFJN-UHFFFAOYSA-N
Num Hdonors
5
Drug Likeness
0.376
Num Hacceptors
5
Isomeric Smiles
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)CO)O)C)C
Canonical Smiles
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)CO)O)C)C
Herb Alias Names
14440-27-84,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol(3S,4R,4Ar,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triolTheasapogenol CCHEBI:173217
Molecular Weight
490.370
Molecular Weight
490.7 g/mol
Molecular Formula
C30H50O5
Molecular Formula
C30H50O5
Molecular Formula
C30H50O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.659
Quantitative Estimate Of Drug Likeness（Qed）
0.376