Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17824
- Core Entity Id
- 22985
- Source Entity Count
- 1
- Preferred Name
- Ebracteolatanolide a
- Name En
- Pubchem Id
- 133562020
- Smiles Canonical
- CC1=C2C(C(C3C4(CCCC(C4CCC35C2O5)(C)C)C)O)OC1=O
- Molecular Formula
- C20H28O4
- Molecular Weight
- 332.4400
- Inchikey
- LDVDGGIHTUCGMX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H28O4/c1-10-12-14(23-17(10)22)13(21)15-19(4)8-5-7-18(2,3)11(19)6-9-20(15)16(12)24-20/h11,13-16,21H,5-9H2,1-4H3
- Isomeric Smiles
- CC1=C2C(C(C3C4(CCCC(C4CCC35C2O5)(C)C)C)O)OC1=O
- Cas Id
- Ob Score
- Mol Logp
- 2.9830
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ebracteolatanolide A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ebracteolatanolide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ebracteolatanolide a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ebracteolatanolide a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
212563-72-9
Role
alias
Source
HERB_v2
Preferred
No
Name
212563-72-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.0(1),(3).0?,?.0(1)(1),(1)?]octadec-4-en-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.0(1),(3).0?,?.0(1)(1),(1)?]octadec-4-en-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
212563-72-99-Hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-6-one9-hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.0(1),(3).0?,?.0(1)(1),(1)?]octadec-4-en-6-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024771
Tcmid
6668
Pub Chem
13356202078384865
Tcmbank
TCMBANKIN018342
Etcm Ingredient
Ebracteolatanolide A
Itcmdb Generated
ITX-INGREDIENT-3D2F21A7A5C3
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O4/c1-10-12-14(23-17(10)22)13(21)15-19(4)8-5-7-18(2,3)11(19)6-9-20(15)16(12)24-20/h11,13-16,21H,5-9H2,1-4H3
Mol Wt
332.4400000000001
Smiles
CC1=C2C(C(C3C4(CCCC(C4CCC35C2O5)(C)C)C)O)OC1=O
Mol Log P
2.983000000000002
In Ch Ikey
LDVDGGIHTUCGMX-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.547
Num Hacceptors
4
Isomeric Smiles
CC1=C2C(C(C3C4(CCCC(C4CCC35C2O5)(C)C)C)O)OC1=O
Canonical Smiles
CC1=C2C(C(C3C4(CCCC(C4CCC35C2O5)(C)C)C)O)OC1=O
Herb Alias Names
212563-72-99-Hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-6-one9-hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.0(1),(3).0?,?.0(1)(1),(1)?]octadec-4-en-6-one
Molecular Weight
332.200
Molecular Weight
332.4 g/mol
Molecular Formula
C20H28O4
Molecular Formula
C20H28O4
Molecular Formula
C20H28O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.771
Quantitative Estimate Of Drug Likeness（Qed）
0.691