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
- 17825
- Core Entity Id
- 22986
- Source Entity Count
- 1
- Preferred Name
- Ebracteolatanolide b
- Name En
- Pubchem Id
- 5316988
- Smiles Canonical
- CC1=C2C(C(C3C4(CCCC(C4CCC3(C2O)O)(C)C)C)O)OC1=O
- Molecular Formula
- C20H30O5
- Molecular Weight
- 350.4550
- Inchikey
- BEVHDQRDCPDJKW-ZDKYKMBBSA-N
- Inchi
- InChI=1S/C20H30O5/c1-10-12-14(25-17(10)23)13(21)15-19(4)8-5-7-18(2,3)11(19)6-9-20(15,24)16(12)22/h11,13-16,21-22,24H,5-9H2,1-4H3/t11-,13?,14-,15+,16?,19?,20?/m1/s1
- Isomeric Smiles
- CC1=C2[C@H](C([C@H]3C4(CCCC([C@H]4CCC3(C2O)O)(C)C)C)O)OC1=O
- Cas Id
- Ob Score
- Mol Logp
- 1.9374
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ebracteolatanolide B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ebracteolatanolide b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ebracteolatanolide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ebracteolatanolide b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024772
Npass
NPC58621
Tcmid
6669
Pub Chem
5316988
Tcmbank
TCMBANKIN020710
Etcm Ingredient
Ebracteolatanolide B
Itcmdb Generated
ITX-INGREDIENT-3B89012626C7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H30O5/c1-10-12-14(25-17(10)23)13(21)15-19(4)8-5-7-18(2,3)11(19)6-9-20(15,24)16(12)22/h11,13-16,21-22,24H,5-9H2,1-4H3/t11-,13?,14-,15+,16?,19?,20?/m1/s1
Mol Wt
350.4550000000001
Smiles
CC1=C2C(C(C3C4(CCCC(C4CCC3(C2O)O)(C)C)C)O)OC1=O
Mol Log P
1.9374
In Ch Ikey
BEVHDQRDCPDJKW-ZDKYKMBBSA-N
Num Hdonors
3
Drug Likeness
0.581
Num Hacceptors
5
Isomeric Smiles
CC1=C2[C@H](C([C@H]3C4(CCCC([C@H]4CCC3(C2O)O)(C)C)C)O)OC1=O
Canonical Smiles
CC1=C2C(C(C3C4(CCCC(C4CCC3(C2O)O)(C)C)C)O)OC1=O
Molecular Weight
350.210
Molecular Formula
C20H30O5
Molecular Formula
C20H30O5
Molecular Formula
C20H30O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.337
Quantitative Estimate Of Drug Likeness（Qed）
0.576