Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 17Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 48609
- Core Entity Id
- 91620
- Source Entity Count
- 1
- Preferred Name
- (3R),(4S)-4-Hydroxylasiodiplodin
- Name En
- Pubchem Id
- 71713363
- Smiles Canonical
- CC1C(CCCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1)O
- Molecular Formula
- C17H24O5
- Molecular Weight
- 308.1600
- Inchikey
- JDSAQKQEQDPDIP-RISCZKNCSA-N
- Inchi
- InChI=1S/C17H24O5/c1-11-14(19)8-6-4-3-5-7-12-9-13(18)10-15(21-2)16(12)17(20)22-11/h9-11,14,18-19H,3-8H2,1-2H3/t11-,14+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 76.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3R),(4S)-4-Hydroxylasiodiplodin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3R),(4S)-4-Hydroxylasiodiplodin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN029011
Etcm Ingredient
(3R),(4S)-4-Hydroxylasiodiplodin
Itcmdb Generated
ITX-INGREDIENT-636DB0AA0273ITX-INGREDIENT-B2C35704993A
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
可可
Tcm Name2
Lasiodiplodia theobroma
Mol2 Path
/TCM_database/2007_3d_all/10315.mol2
Reference
3966
Molecular Weight
308.160
Molecular Formula
C17H24O5
Fda Maximum Daily Dose (Fdamdd)
0.307
Quantitative Estimate Of Drug Likeness（Qed）
0.780