Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3426
- Core Entity Id
- 6995
- Source Entity Count
- 1
- Preferred Name
- 34-epiannomolon b
- Name En
- Pubchem Id
- 10348777
- Smiles Canonical
- CCCCCCCCCCCCC(C1CCC(O1)C(CCCC(=O)CCCCCCC(CC2=CC(OC2=O)(C)O)O)O)O
- Molecular Formula
- C35H62O8
- Molecular Weight
- 610.8730
- Inchikey
- GJVIOLYTKAYTOT-QEGRAPCLSA-N
- Inchi
- InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-10-11-16-21-30(38)32-23-24-33(42-32)31(39)22-17-20-28(36)18-14-12-13-15-19-29(37)25-27-26-35(2,41)43-34(27)40/h26,29-33,37-39,41H,3-25H2,1-2H3/t29-,30-,31-,32-,33-,35?/m1/s1
- Isomeric Smiles
- CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC(=O)CCCCCC[C@H](CC2=CC(OC2=O)(C)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.5895
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 26
- Drug Likeness
- 0.0640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
34-Epiannomolon B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
34-Epiannomolon B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
34-epiannomolon b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
34-epiannomolon b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
毛叶番荔枝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO YE FAN LI ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cherimoya
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Annomolon B/34-epi-Annomolon B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Annomolon B/34-epi-Annomolon B
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL450529
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL450529
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛叶番荔枝MAO YE FAN LI ZHICherimoyaAnnomolon B/34-epi-Annomolon BCHEMBL450529
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007468
Npass
NPC11456
Tcmid
13056827
Pub Chem
10348777
Tcmbank
TCMBANKIN033732
Etcm Ingredient
34-Epiannomolon B
Itcmdb Generated
ITX-INGREDIENT-C334FB5635E7ITX-INGREDIENT-CC2E3863E6AA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-10-11-16-21-30(38)32-23-24-33(42-32)31(39)22-17-20-28(36)18-14-12-13-15-19-29(37)25-27-26-35(2,41)43-34(27)40/h26,29-33,37-39,41H,3-25H2,1-2H3/t29-,30-,31-,32-,33-,35?/m1/s1
Mol Wt
610.8730000000007
Mol Log P
6.589500000000011
In Ch Ikey
GJVIOLYTKAYTOT-QEGRAPCLSA-N
Tcm Name
毛叶番荔枝
Tcm Name2
MAO YE FAN LI ZHI
Mol2 Path
/TCM_database/2007_3d_all/06828.mol2
Reference
4731
Num Hdonors
4
Tcm Name En
Cherimoya
Drug Likeness
0.064
Num Hacceptors
8
Isomeric Smiles
CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC(=O)CCCCCC[C@H](CC2=CC(OC2=O)(C)O)O)O)O
Canonical Smiles
CCCCCCCCCCCCC(C1CCC(O1)C(CCCC(=O)CCCCCCC(CC2=CC(OC2=O)(C)O)O)O)O
Herb Alias Names
CHEMBL450529Annomolon B/34-epi-Annomolon B
Molecular Weight
610.440
Molecular Formula
C35H62O8
Molecular Formula
C35H62O8
Num Rotatable Bonds
26
Fda Maximum Daily Dose (Fdamdd)
0.888
Quantitative Estimate Of Drug Likeness（Qed）
0.064